== maz_noesy_2 (Spinach /Users/alexej/Documents/PROG/spynach-spinach) -> /Users/alexej/Documents/PROG/spynach/comparison/runs/maz_noesy_2/spinach Running startup checks... [...> run_comparison > maz_noesy_2_spinach > create ] scratch location: /Users/alexej/Documents/PROG/spynach-spinach/scratch [...parison > maz_noesy_2_spinach > create > banner ] [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = SPINACH v2.13 = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = author list = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = documentation = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = book = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = MIT License = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] [...son > maz_noesy_2_spinach > create > tolerances ] Drop interaction tensors with 2-norms below (Hz) 2.00000000e+00 (user-specified) [...son > maz_noesy_2_spinach > create > tolerances ] Drop Liouvillian elements with norm below (rad/s) 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop relaxation superoperator elements with norm below (Hz) 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop propagator elements with norm below 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop subspaces with populations below 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop irreps with populations below 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Steady state convergence tolerance 1.00000000e-08 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Number of time steps in ZTE sample 32 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] ZTE track drop threshold 1.00000000e-24 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] ZTE off for state vector densities above 0.5 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop dipolar couplings over more than (Angstrom) 4 (user-specified) [...son > maz_noesy_2_spinach > create > tolerances ] Krylov propagation for dimensions above 10000 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Basis set printing hush threshold 256 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Collect small subspaces into bundles of dimension 1000 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Force sparse algebra for matrix density below 0.15 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Force full algebra for matrix dimension below 200 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Rel. acc. for the elements of Redfield superoperator 1.00000000e-04 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Matrix exponential differentiation algorithm auxmat (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Number of PBC images for DD couplings in PBC systems 2 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Number of days before a cache record is deleted 365 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Planck constant (hbar) 1.05457182e-34 [...son > maz_noesy_2_spinach > create > tolerances ] Boltzmann constant (k) 1.38064900e-23 [...son > maz_noesy_2_spinach > create > tolerances ] Free electron g-factor 2.00231930e+00 [...son > maz_noesy_2_spinach > create > tolerances ] Vacuum permeability 1.25663706e-06 [...son > maz_noesy_2_spinach > create > tolerances ] Bohr magneton 9.27401007e-24 [...> run_comparison > maz_noesy_2_spinach > create ] WARNING: the following functionality is disabled by the user [...> run_comparison > maz_noesy_2_spinach > create ] > Krylov propagation inside evolution() function [...> run_comparison > maz_noesy_2_spinach > create ] job identifier: 758ad6f18bfcbea06db21d835bd1f7bc [...> run_comparison > maz_noesy_2_spinach > create ] random number generator shuffled [...> run_comparison > maz_noesy_2_spinach > create ] a running Spinach parallel pool found: [...> run_comparison > maz_noesy_2_spinach > create ] > parallel profile: Processes [...> run_comparison > maz_noesy_2_spinach > create ] > job identifier: 76d89cbcff75b94c1c58419eeaee3e32 [...> run_comparison > maz_noesy_2_spinach > create ] > worker processes: 11 [...> run_comparison > maz_noesy_2_spinach > create ] WARNING - this pool will be re-used [...> run_comparison > maz_noesy_2_spinach > create ] parallel pool ValueStore cleared. [...parison > maz_noesy_2_spinach > create > banner ] [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = SPIN SYSTEM = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] [...> run_comparison > maz_noesy_2_spinach > create ] a total of 8 particles in the simulation, of which 0 have a zero spin. [...> run_comparison > maz_noesy_2_spinach > create ] magnetic induction of 11.75 Tesla (-500.29 MHz proton frequency, 329.29 GHz electron frequency). [...> maz_noesy_2_spinach > create > summary_zeeman ] summary of Zeeman tensors and their anisotropies (ppm for nuclei, g-tensor for electrons) [...> maz_noesy_2_spinach > create > summary_zeeman ] ======================================================================================================= [...> maz_noesy_2_spinach > create > summary_zeeman ] # Spin 2S+1 Matrix Tr/3 norm[rank1] norm[rank2] [...> maz_noesy_2_spinach > create > summary_zeeman ] ------------------------------------------------------------------------------------------------------- [...> maz_noesy_2_spinach > create > summary_zeeman ] 1 1H 2 -1.019700e+00 -6.197700e+00 +3.606100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -3.375700e+00 +2.441600e+00 +8.672000e-01 +1.3000e+00 +2.4399e+00 +8.7139e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +6.860300e+00 +3.160300e+00 +2.478100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 2 1H 2 +4.789500e+00 +4.604000e-01 +3.967000e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -2.449100e+00 +1.532800e+00 -3.594100e+00 +1.7000e+00 +2.7599e+00 +6.6037e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -9.510000e-02 -5.939900e+00 -1.222300e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 3 1H 2 +4.313333e+00 +1.366200e+00 +3.466400e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.195000e-01 +8.337433e+00 +9.356000e-01 +1.9000e+00 +2.7701e+00 +8.9297e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -1.956700e+00 +5.013000e-01 -6.950767e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 4 14N 3 -2.784930e+01 -1.692860e+01 +2.833050e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] -2.279510e+01 +7.285280e+01 -1.853570e+01 -9.4739e-15 +2.1091e+01 +7.6700e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] +1.389030e+01 +2.066050e+01 -4.500350e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 5 1H 2 +4.811700e+00 -3.798100e+00 +3.974500e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +1.006500e+00 +1.291400e+00 +4.211900e+00 +1.0000e-01 +4.0596e+00 +1.0912e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] +1.199700e+00 +1.013950e+01 -5.803100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 6 1H 2 -2.125667e+00 -4.340200e+00 -8.099000e-01 [...> maz_noesy_2_spinach > create > summary_zeeman ] -3.392200e+00 +1.202133e+00 -1.222500e+00 +1.2000e+00 +1.0626e+00 +5.8881e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +7.891000e-01 -1.926000e-01 +4.523533e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 7 1H 2 -2.087000e+00 +4.730600e+00 -1.236600e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.641900e+00 +1.098900e+00 +1.118000e+00 +1.2000e+00 +9.7904e-01 +6.2563e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.469000e-01 +7.420000e-01 +4.588100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 8 1H 2 +1.435567e+00 -1.078000e-01 +2.933900e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -1.534000e-01 +4.966467e+00 -6.704000e-01 +1.2000e+00 +1.5342e-01 +5.6543e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.218800e+00 -7.748000e-01 -2.802033e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] ======================================================================================================= [...> run_comparison > maz_noesy_2_spinach > create ] WARNING - no giant spin terms supplied, zeros assumed. [...> run_comparison > maz_noesy_2_spinach > create ] initializing interaction arrays... [..._noesy_2_spinach > create > summary_coordinates ] atomic coordinates (Angstrom) [..._noesy_2_spinach > create > summary_coordinates ] ====================================== [..._noesy_2_spinach > create > summary_coordinates ] N Spin X Y Z [..._noesy_2_spinach > create > summary_coordinates ] -------------------------------------- [..._noesy_2_spinach > create > summary_coordinates ] 1 1H -1.813 -1.099 +0.444 [..._noesy_2_spinach > create > summary_coordinates ] 2 1H -0.842 -1.116 -1.123 [..._noesy_2_spinach > create > summary_coordinates ] 3 1H +0.177 -0.023 +1.610 [..._noesy_2_spinach > create > summary_coordinates ] 4 14N -0.908 +0.812 -0.038 [..._noesy_2_spinach > create > summary_coordinates ] 5 1H -0.590 +1.188 -0.936 [..._noesy_2_spinach > create > summary_coordinates ] 6 1H +2.094 +0.832 +0.089 [..._noesy_2_spinach > create > summary_coordinates ] 7 1H +2.084 -0.944 +0.159 [..._noesy_2_spinach > create > summary_coordinates ] 8 1H +1.387 -0.108 -1.250 [..._noesy_2_spinach > create > summary_coordinates ] ====================================== [...> run_comparison > maz_noesy_2_spinach > create ] periodic boundary conditions not specified, assuming a standalone spin system. [...arison > maz_noesy_2_spinach > create > dipolar ] dipolar interaction distance threshold: 4 Angstrom. [...arison > maz_noesy_2_spinach > create > dipolar ] running dipolar interaction network analysis... [...arison > maz_noesy_2_spinach > create > dipolar ] found 27 spin pair(s) with distance under the threshold of 4 Angstrom. [...> run_comparison > maz_noesy_2_spinach > create ] processing coupling data... [...az_noesy_2_spinach > create > summary_couplings ] summary of coupling tensors and their anisotropies (Hz) [...az_noesy_2_spinach > create > summary_couplings ] ====================================================================================================== [...az_noesy_2_spinach > create > summary_couplings ] Spin A Spin B Matrix Tr/3 norm[rank1] norm[rank2] [...az_noesy_2_spinach > create > summary_couplings ] ------------------------------------------------------------------------------------------------------ [...az_noesy_2_spinach > create > summary_couplings ] 2 1 +1.613059e+03 +1.471080e+02 +1.287022e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.471080e+02 +9.581818e+03 -2.375109e+02 +0.0000e+00 +1.1580e-12 +1.9169e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.287022e+04 -2.375109e+02 -1.119488e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 1 -3.043425e+03 -3.614167e+03 -3.917988e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.614167e+03 +1.692772e+03 -2.116951e+03 -9.6500e-14 +0.0000e+00 +7.2911e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.917988e+03 -2.116951e+03 +1.350654e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 1 +2.075457e+02 -4.698288e+02 +1.187104e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.698288e+02 -5.612434e+02 +2.505034e+02 +4.4000e+00 +7.2375e-14 +8.5158e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.187104e+02 +2.505034e+02 +3.668977e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 1 +1.137531e+03 -2.302183e+03 +1.390340e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.302183e+03 -1.936158e+03 +2.599805e+03 +0.0000e+00 +2.0471e-13 +4.7374e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.390340e+03 +2.599805e+03 +7.986268e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 1 -1.987616e+03 -1.185299e+02 +2.189575e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.185299e+02 +9.994724e+02 +8.674758e+00 +0.0000e+00 +9.0469e-15 +2.0083e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.189575e+02 +8.674758e+00 +9.881436e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 1 -1.339288e+03 -7.658088e+02 +1.310564e+03 [...az_noesy_2_spinach > create > summary_couplings ] -7.658088e+02 +8.981991e+02 +4.055953e+02 +2.4125e-14 +0.0000e+00 +2.2704e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.310564e+03 +4.055953e+02 +4.410885e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 2 +1.601459e+03 +1.471080e+02 +1.287022e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.471080e+02 +9.570218e+03 -2.375109e+02 -1.1600e+01 +1.1580e-12 +1.9169e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.287022e+04 -2.375109e+02 -1.120648e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 2 +1.348984e+03 -6.846490e+02 -1.711657e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.846490e+02 +1.253080e+03 -1.835732e+03 +0.0000e+00 +1.6184e-13 +3.9747e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.711657e+03 -1.835732e+03 -2.602063e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 2 +3.993456e+02 +3.093114e+01 +1.739738e+01 [...az_noesy_2_spinach > create > summary_couplings ] +3.093114e+01 -5.113157e+02 -5.127964e+02 -6.0313e-15 +2.2617e-15 +8.0079e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.739738e+01 -5.127964e+02 +1.119700e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 2 +4.605968e+03 -1.538460e+03 -1.243991e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.538460e+03 -9.288300e+03 -1.137093e+03 +0.0000e+00 +9.0469e-15 +9.5486e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.243991e+02 -1.137093e+03 +4.682332e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 2 -1.000829e+03 -1.434829e+03 -8.921332e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.434829e+03 +2.083035e+02 -5.921915e+02 +4.8250e-14 +0.0000e+00 +2.3215e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.921332e+02 -5.921915e+02 +7.925259e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 2 -2.767870e+03 -2.709279e+02 -2.015690e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.709279e+02 +1.817466e+03 -1.186856e+02 +0.0000e+00 +0.0000e+00 +3.6668e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.015690e+03 -1.186856e+02 +9.504041e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 2 -6.059815e+03 -4.587832e+03 +5.803920e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.587832e+03 +2.009022e+03 +2.624989e+02 +0.0000e+00 +2.8950e-13 +8.1680e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.803920e+02 +2.624989e+02 +4.050793e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 3 -3.037925e+03 -3.614167e+03 -3.917988e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.614167e+03 +1.698272e+03 -2.116951e+03 +5.5000e+00 +0.0000e+00 +7.2911e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.917988e+03 -2.116951e+03 +1.356154e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 3 +1.348984e+03 -6.846490e+02 -1.711657e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.846490e+02 +1.253080e+03 -1.835732e+03 +0.0000e+00 +1.6184e-13 +3.9747e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.711657e+03 -1.835732e+03 -2.602063e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 3 +1.072409e+02 +2.612730e+02 -5.156478e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.612730e+02 +2.453897e+02 +3.970390e+02 +5.2000e+00 +8.0918e-14 +8.8273e+02 [...az_noesy_2_spinach > create > summary_couplings ] -5.156478e+02 +3.970390e+02 -3.370306e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 3 +1.908888e+03 +7.854594e+02 -1.651158e+03 [...az_noesy_2_spinach > create > summary_couplings ] +7.854594e+02 +1.165952e+03 +2.607385e+03 -1.9300e-13 +3.2367e-13 +4.8126e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.651158e+03 +2.607385e+03 -3.074840e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 3 -2.206962e+03 -2.524683e+03 +4.487945e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.524683e+03 +2.320794e+03 +2.003678e+03 +7.8407e-14 +2.8950e-13 +6.8959e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.487945e+03 +2.003678e+03 -1.138325e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 3 -2.328370e+03 +2.837806e+03 +4.471256e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.837806e+03 +2.179730e+03 -2.158608e+03 -6.0313e-15 +3.2367e-13 +7.0995e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.471256e+03 -2.158608e+03 +1.486402e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 3 +1.091292e+03 +6.390757e+01 +2.153979e+03 [...az_noesy_2_spinach > create > summary_couplings ] +6.390757e+01 +1.998008e+03 -1.510711e+02 +0.0000e+00 +4.5235e-15 +4.0050e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.153979e+03 -1.510711e+02 -3.089300e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 4 +2.031457e+02 -4.698288e+02 +1.187104e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.698288e+02 -5.656434e+02 +2.505034e+02 -2.4125e-14 +7.2375e-14 +8.5158e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.187104e+02 +2.505034e+02 +3.624977e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 4 +3.993456e+02 +3.093114e+01 +1.739738e+01 [...az_noesy_2_spinach > create > summary_couplings ] +3.093114e+01 -5.113157e+02 -5.127964e+02 -6.0313e-15 +2.2617e-15 +8.0079e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.739738e+01 -5.127964e+02 +1.119700e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 4 +1.020409e+02 +2.612730e+02 -5.156478e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.612730e+02 +2.401897e+02 +3.970390e+02 +2.4125e-14 +8.0918e-14 +8.8273e+02 [...az_noesy_2_spinach > create > summary_couplings ] -5.156478e+02 +3.970390e+02 -3.422306e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 4 -1.293200e+06 +6.251000e+05 +1.870000e+06 [...az_noesy_2_spinach > create > summary_couplings ] +6.251000e+05 +1.717000e+06 -2.312700e+06 -2.4704e-11 +0.0000e+00 +3.5484e+06 [...az_noesy_2_spinach > create > summary_couplings ] +1.870000e+06 -2.312700e+06 -4.238000e+05 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 4 +2.875051e+03 -1.379897e+03 +3.294563e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.379897e+03 +2.404804e+03 +3.903415e+03 +0.0000e+00 +0.0000e+00 +8.0794e+03 [...az_noesy_2_spinach > create > summary_couplings ] +3.294563e+03 +3.903415e+03 -5.279855e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 4 -3.193942e+02 -3.282394e+00 -2.031508e+01 [...az_noesy_2_spinach > create > summary_couplings ] -3.282394e+00 +1.601162e+02 -1.390564e-01 +6.0313e-15 +0.0000e+00 +3.2028e+02 [...az_noesy_2_spinach > create > summary_couplings ] -2.031508e+01 -1.390564e-01 +1.592780e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 4 -1.266751e+02 +1.350741e+02 -1.518933e+01 [...az_noesy_2_spinach > create > summary_couplings ] +1.350741e+02 +2.420176e+01 +8.914518e+00 -6.0313e-15 +0.0000e+00 +2.0695e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.518933e+01 +8.914518e+00 +1.024734e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 4 -2.253744e+02 +1.737472e+02 +2.289087e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.737472e+02 +1.383144e+02 -9.177840e+01 +0.0000e+00 +9.0469e-15 +4.1595e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.289087e+02 -9.177840e+01 +8.706009e+01 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 5 +1.145031e+03 -2.302183e+03 +1.390340e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.302183e+03 -1.928658e+03 +2.599805e+03 +7.5000e+00 +2.0471e-13 +4.7374e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.390340e+03 +2.599805e+03 +8.061268e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 5 +4.618668e+03 -1.538460e+03 -1.243991e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.538460e+03 -9.275600e+03 -1.137093e+03 +1.2700e+01 +9.0469e-15 +9.5486e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.243991e+02 -1.137093e+03 +4.695032e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 5 +1.908888e+03 +7.854594e+02 -1.651158e+03 [...az_noesy_2_spinach > create > summary_couplings ] +7.854594e+02 +1.165952e+03 +2.607385e+03 -1.9300e-13 +3.2367e-13 +4.8126e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.651158e+03 +2.607385e+03 -3.074840e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 5 +2.919851e+03 -1.379897e+03 +3.294563e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.379897e+03 +2.449604e+03 +3.903415e+03 +4.4800e+01 +0.0000e+00 +8.0794e+03 [...az_noesy_2_spinach > create > summary_couplings ] +3.294563e+03 +3.903415e+03 -5.235055e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 5 -3.907262e+03 +8.458910e+02 -2.438651e+03 [...az_noesy_2_spinach > create > summary_couplings ] +8.458910e+02 +2.363442e+03 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summary_couplings ] 2 6 -1.000829e+03 -1.434829e+03 -8.921332e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.434829e+03 +2.083035e+02 -5.921915e+02 +4.8250e-14 +0.0000e+00 +2.3215e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.921332e+02 -5.921915e+02 +7.925259e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 6 -2.202462e+03 -2.524683e+03 +4.487945e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.524683e+03 +2.325294e+03 +2.003678e+03 +4.5000e+00 +2.8950e-13 +6.8959e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.487945e+03 +2.003678e+03 -1.093325e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 6 -3.193942e+02 -3.282394e+00 -2.031508e+01 [...az_noesy_2_spinach > create > summary_couplings ] -3.282394e+00 +1.601162e+02 -1.390564e-01 +6.0313e-15 +0.0000e+00 +3.2028e+02 [...az_noesy_2_spinach > create > summary_couplings ] -2.031508e+01 -1.390564e-01 +1.592780e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 6 -3.907262e+03 +8.458910e+02 -2.438651e+03 [...az_noesy_2_spinach > create > summary_couplings ] +8.458910e+02 +2.363442e+03 +3.231858e+02 +0.0000e+00 +1.8094e-14 +4.9511e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.438651e+03 +3.231858e+02 +1.543820e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 6 +1.068580e+04 -1.684673e+02 +6.667806e+00 [...az_noesy_2_spinach > create > summary_couplings ] -1.684673e+02 -2.132234e+04 +1.266892e+03 +0.0000e+00 +1.8103e-14 +2.1373e+04 [...az_noesy_2_spinach > create > summary_couplings ] +6.667806e+00 +1.266892e+03 +1.063654e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 6 +5.604635e+03 -6.653064e+03 -9.473209e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.653064e+03 +1.747121e+03 -1.260960e+04 +3.8600e-13 +5.7900e-13 +2.1206e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.473209e+03 -1.260960e+04 -7.351757e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 7 -1.987616e+03 -1.185299e+02 +2.189575e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.185299e+02 +9.994724e+02 +8.674758e+00 +0.0000e+00 +9.0469e-15 +2.0083e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.189575e+02 +8.674758e+00 +9.881436e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 7 -2.767870e+03 -2.709279e+02 -2.015690e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.709279e+02 +1.817466e+03 -1.186856e+02 +0.0000e+00 +0.0000e+00 +3.6668e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.015690e+03 -1.186856e+02 +9.504041e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 7 -2.323870e+03 +2.837806e+03 +4.471256e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.837806e+03 +2.184230e+03 -2.158608e+03 +4.5000e+00 +3.2367e-13 +7.0995e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.471256e+03 -2.158608e+03 +1.531402e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 7 -1.266751e+02 +1.350741e+02 -1.518933e+01 [...az_noesy_2_spinach > create > summary_couplings ] +1.350741e+02 +2.420176e+01 +8.914518e+00 -6.0313e-15 +0.0000e+00 +2.0695e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.518933e+01 +8.914518e+00 +1.024734e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 7 -8.601209e+02 +1.719263e+03 -8.835014e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.719263e+03 -7.429576e+01 +7.043683e+02 +0.0000e+00 +0.0000e+00 +2.5928e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.835014e+02 +7.043683e+02 +9.344167e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 7 +1.068580e+04 -1.684673e+02 +6.667806e+00 [...az_noesy_2_spinach > create > summary_couplings ] -1.684673e+02 -2.132234e+04 +1.266892e+03 +0.0000e+00 +1.8103e-14 +2.1373e+04 [...az_noesy_2_spinach > create > summary_couplings ] +6.667806e+00 +1.266892e+03 +1.063654e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 7 +5.742781e+03 +5.861100e+03 -9.883216e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.861100e+03 +3.605059e+03 +1.184857e+04 -3.8600e-13 +1.1580e-12 +2.1263e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.883216e+03 +1.184857e+04 -9.347839e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 8 -1.339288e+03 -7.658088e+02 +1.310564e+03 [...az_noesy_2_spinach > create > summary_couplings ] -7.658088e+02 +8.981991e+02 +4.055953e+02 +2.4125e-14 +0.0000e+00 +2.2704e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.310564e+03 +4.055953e+02 +4.410885e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 8 -6.059815e+03 -4.587832e+03 +5.803920e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.587832e+03 +2.009022e+03 +2.624989e+02 +0.0000e+00 +2.8950e-13 +8.1680e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.803920e+02 +2.624989e+02 +4.050793e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 8 +1.095792e+03 +6.390757e+01 +2.153979e+03 [...az_noesy_2_spinach > create > summary_couplings ] +6.390757e+01 +2.002508e+03 -1.510711e+02 +4.5000e+00 +4.5235e-15 +4.0050e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.153979e+03 -1.510711e+02 -3.084800e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 8 -2.253744e+02 +1.737472e+02 +2.289087e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.737472e+02 +1.383144e+02 -9.177840e+01 +0.0000e+00 +9.0469e-15 +4.1595e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.289087e+02 -9.177840e+01 +8.706009e+01 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 8 -4.701092e+03 +5.984764e+03 +1.449234e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.984764e+03 +5.037447e+02 -9.501349e+02 +0.0000e+00 +6.0119e-13 +8.8549e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.449234e+03 -9.501349e+02 +4.197348e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 8 +5.604635e+03 -6.653064e+03 -9.473209e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.653064e+03 +1.747121e+03 -1.260960e+04 +3.8600e-13 +5.7900e-13 +2.1206e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.473209e+03 -1.260960e+04 -7.351757e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 8 +5.742781e+03 +5.861100e+03 -9.883216e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.861100e+03 +3.605059e+03 +1.184857e+04 -3.8600e-13 +1.1580e-12 +2.1263e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.883216e+03 +1.184857e+04 -9.347839e+03 [...az_noesy_2_spinach > create > summary_couplings ] ====================================================================================================== [...> run_comparison > maz_noesy_2_spinach > create ] WARNING - spin temperature not specified, assuming 298 Kelvin [...> run_comparison > maz_noesy_2_spinach > create ] relaxation theory 1: redfield [...> run_comparison > maz_noesy_2_spinach > create ] relaxation theory 2: SRFK [...> run_comparison > maz_noesy_2_spinach > create ] relaxation theory 3: SRSK [...> run_comparison > maz_noesy_2_spinach > create ] chemical subsystem 1, rotational correlation time(s): 2.5e-11 seconds [...> run_comparison > maz_noesy_2_spinach > create ] terms to keep in the relaxation superoperator: kite [...> run_comparison > maz_noesy_2_spinach > create ] action to take on dynamic frequency shifts: ignore [...> run_comparison > maz_noesy_2_spinach > create ] SRFK autocorrelation function component 1: [...> run_comparison > maz_noesy_2_spinach > create ] component weight: 1 [...> run_comparison > maz_noesy_2_spinach > create ] correlation time: 0.001 seconds [...> run_comparison > maz_noesy_2_spinach > create ] SRFK modulation depth for spins 1,5: 15 Hz [...> run_comparison > maz_noesy_2_spinach > create ] SRFK modulation depth for spins 2,5: 15 Hz [...> run_comparison > maz_noesy_2_spinach > create ] SRFK modulation depth for spins 3,5: 15 Hz [...> run_comparison > maz_noesy_2_spinach > create ] thermalisation method: zero create 0.9 s [...mparison > maz_noesy_2_spinach > basis > banner ] [...mparison > maz_noesy_2_spinach > basis > banner ] ============================================ [...mparison > maz_noesy_2_spinach > basis > banner ] = = [...mparison > maz_noesy_2_spinach > basis > banner ] = BASIS SET = [...mparison > maz_noesy_2_spinach > basis > banner ] = = [...mparison > maz_noesy_2_spinach > basis > banner ] ============================================ [...mparison > maz_noesy_2_spinach > basis > banner ] [...az_noesy_2_spinach > basis > summary_basis_opts ] spherical tensor basis set using Liouville space matrix formalism. [...az_noesy_2_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations involving all nearest neighbours of each spin on the coupling graph. [...az_noesy_2_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations up to order 4 between all spins within 4 Angstrom of each other. [...az_noesy_2_spinach > basis > summary_basis_opts ] IK-2 approximation - coupling graph from scalar couplings, tensors with 2-norm below 2 Hz dropped. [... > run_comparison > maz_noesy_2_spinach > basis ] coupling tensors with norm below 2 Hz will be ignored. [... > run_comparison > maz_noesy_2_spinach > basis ] scalar couplings will be used to build the coupling graph. [... > run_comparison > maz_noesy_2_spinach > basis ] connectivity matrix density 43.75% [... > run_comparison > maz_noesy_2_spinach > basis ] proximity matrix density 96.875% [... > run_comparison > maz_noesy_2_spinach > basis ] chemical substance 1, 8 spins: [... > run_comparison > maz_noesy_2_spinach > basis ] 8 subgraphs generated from coupling data. [... > run_comparison > maz_noesy_2_spinach > basis ] 70 subgraphs generated from proximity data. [... > run_comparison > maz_noesy_2_spinach > basis ] keeping 50 subgraphs with 4 spins each. [... > run_comparison > maz_noesy_2_spinach > basis ] keeping 1 subgraphs with 5 spins each. [... > run_comparison > maz_noesy_2_spinach > basis ] keeping 1 subgraphs with 6 spins each. [... > run_comparison > maz_noesy_2_spinach > basis ] building basis set descriptor... [... > run_comparison > maz_noesy_2_spinach > basis ] eliminating redundant states... [... > run_comparison > maz_noesy_2_spinach > basis ] sorting the basis... [... > run_comparison > maz_noesy_2_spinach > basis ] chemical substance 1: 19313 states. [...n > maz_noesy_2_spinach > basis > summary_basis ] over 256 states in the basis - printing suppressed. [...n > maz_noesy_2_spinach > basis > summary_basis ] state space dimension 19314 (13.0981% of the full state space). [...arison > maz_noesy_2_spinach > basis > symmetry ] no symmetry information available. [... > run_comparison > maz_noesy_2_spinach > basis ] caching Lie structure tables... basis 2.9 s [...parison > maz_noesy_2_spinach > liquid > banner ] [...parison > maz_noesy_2_spinach > liquid > banner ] ============================================ [...parison > maz_noesy_2_spinach > liquid > banner ] = = [...parison > maz_noesy_2_spinach > liquid > banner ] = PULSE SEQUENCE = [...parison > maz_noesy_2_spinach > liquid > banner ] = = [...parison > maz_noesy_2_spinach > liquid > banner ] ============================================ [...parison > maz_noesy_2_spinach > liquid > banner ] [...rison > maz_noesy_2_spinach > liquid > defaults ] parameters.decouple field not set, assuming no decoupling. [...rison > maz_noesy_2_spinach > liquid > defaults ] parameters.rframes field not set, assuming no additional rotating frame transformations. [...rison > maz_noesy_2_spinach > liquid > defaults ] parameters.needs field not set, assumpting empty. [...parison > maz_noesy_2_spinach > liquid > assume ] generic high-field NMR assumption set: [...parison > maz_noesy_2_spinach > liquid > assume ] rotating frame approximation for electrons, [...parison > maz_noesy_2_spinach > liquid > assume ] rotating frame approximation for nuclei, [...parison > maz_noesy_2_spinach > liquid > assume ] secular terms for electron Zeeman interactions, [...parison > maz_noesy_2_spinach > liquid > assume ] secular terms for nuclear Zeeman interactions, [...parison > maz_noesy_2_spinach > liquid > assume ] secular terms for giant spin model interactions, [...parison > maz_noesy_2_spinach > liquid > assume ] secular coupling terms for spins belonging to the same species, [...parison > maz_noesy_2_spinach > liquid > assume ] weak coupling terms for spins belonging to different species, [...parison > maz_noesy_2_spinach > liquid > assume ] secular coupling terms for quadratic couplings. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] building Hamiltonian descriptor... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 1... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -650.371 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 2... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -850.4851 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 3... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -950.5422 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -50.0285 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 6... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -600.3424 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 7... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -600.3424 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 8... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -600.3424 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (z,z) part of the isotropic coupling for spins 4,1... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LzSz) x 4.4 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,2... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -11.6 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,3... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (z,z) part of the isotropic coupling for spins 4,3... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LzSz) x 5.2 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 12.7 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (z,z) part of the isotropic coupling for spins 4,5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LzSz) x 44.8 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,6... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,7... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,8... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] 31 unique operators in the Hamiltonian descriptor. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] building individual operators... [..._2_spinach > liquid > hamiltonian > parfor/spmd ] 31/31 operators done, 103.3495 operators per second. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] average worker process received 1.6038 MB and sent back 1.2053 MB [...on > maz_noesy_2_spinach > liquid > hamiltonian ] operator construction took 0.30397 seconds [...on > maz_noesy_2_spinach > liquid > hamiltonian ] operator array footprint: 0.012924 GB [...on > maz_noesy_2_spinach > liquid > hamiltonian ] assembling the Hamiltonian... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] Hamiltonian assembly took 0.017863 seconds [...on > maz_noesy_2_spinach > liquid > hamiltonian ] WARNING - only the isotropic part has been returned. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] memory footprint of I array: 0.00187 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] Redfield theory (rotational diffusion). [...son > maz_noesy_2_spinach > liquid > relaxation ] computing the lab frame Hamiltonian superoperator... [..._noesy_2_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for all couplings. [...y_2_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286022.9555 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 814.0143-573.6022i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 814.0143+573.6022i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 2618.0934-1007.4497i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x -721.8477 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -2618.0934-1007.4497i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286223.0697 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -1016.1046+586.78471i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -1016.1046-586.78471i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 968.52747+2384.8604i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 1790.5573 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -968.52747+2384.8604i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286323.1267 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -1356.5488+108.63697i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -1356.5488-108.63697i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 377.6404-359.43i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 5423.059 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -377.6404-359.43i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -36163035.9271 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -261.1007-708.7268i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -261.1007+708.7268i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 763.4162-38.41961i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 1993.2272 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -763.4162-38.41961i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete quadratic coupling for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,+2) x -1.50510e+06-6.25100e+05i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,+1) x -1.87000e+06-2.31270e+06i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2, 0) x -5.19047e+05 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,-1) x +1.87000e+06-2.31270e+06i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,-2) x -1.50510e+06+6.25100e+05i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285422.6131 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -694.09593-1482.7458i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -694.09593+1482.7458i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 1294.2883-3589.8977i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 3616.9589 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -1294.2883-3589.8977i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 399.9782-257.622i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 399.9782+257.622i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x -5.202968+353.9769i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x -2036.4018 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x 5.202968+353.9769i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 396.1009+94.05365i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 396.1009-94.05365i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x -222.5519-465.2654i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x -2075.9632 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x 222.5519-465.2654i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 71.2657+26.1149i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 71.2657-26.1149i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 1539.0529+361.50621i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 2452.1336 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -1539.0529+361.50621i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.98438e+03-1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.37109e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.98438e+03+1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.36810e+03+3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.65421e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.36810e+03-3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.4 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.84395e+02+4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.43967e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.84395e+02-4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.53684e+03+2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.78114e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.53684e+03-2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.49354e+03+1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.21022e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.49354e+03-1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.11874e+03+7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.40221e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.11874e+03-7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -11.6 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.98438e+03-1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.37109e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.98438e+03+1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.79520e+01+6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.18686e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.79520e+01-6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.55331e+02-3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37135e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.55331e+02+3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.94713e+03+1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.73466e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.94713e+03-1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.04566e+02+1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.70642e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.04566e+02-1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.29267e+03+2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.16400e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.29267e+03-2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.03442e+03+4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.96119e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.03442e+03-4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.36810e+03+3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.65421e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.36810e+03-3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.79520e+01+6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.18686e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.79520e+01-6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.2 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.90744e+01-2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.19145e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.90744e+01+2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.71468e+02-7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.76589e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.71468e+02+7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.26388e+03+2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.39416e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.26388e+03-2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.25405e+03-2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.82046e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.25405e+03+2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.53358e+02-6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.78360e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.53358e+02+6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.84395e+02+4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.43967e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.84395e+02-4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.55331e+02-3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37135e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.55331e+02+3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.90744e+01-2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.19145e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.90744e+01+2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.35123e+02+1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.46647e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.35123e+02-1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39755e+02+3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.95075e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39755e+02-3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.54384e+01-1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25504e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.54384e+01+1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.81844e+02-1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.06626e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.81844e+02+1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.53684e+03+2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.78114e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.53684e+03-2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 12.7 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.94713e+03+1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.73466e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.94713e+03-1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.71468e+02-7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.76589e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.71468e+02+7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 44.8 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.35123e+02+1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.46647e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.35123e+02-1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.13535e+03-8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.89079e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.13535e+03+8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.92913e+02-1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14442e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.92913e+02+1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.60242e+03-5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.14068e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.60242e+03+5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.04566e+02+1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.70642e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.04566e+02-1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.26388e+03+2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.39416e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.26388e+03-2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39755e+02+3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.95075e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39755e+02-3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.13535e+03-8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.89079e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.13535e+03+8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.60041e+04+1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.30271e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.60041e+04-1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.92876e+03+6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.00403e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.92876e+03-6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.49354e+03+1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.21022e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.49354e+03-1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.29267e+03+2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.16400e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.29267e+03-2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.25405e+03-2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.82046e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.25405e+03+2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.54384e+01-1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25504e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.54384e+01+1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.92913e+02-1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14442e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.92913e+02+1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.60041e+04+1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.30271e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.60041e+04-1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.06886e+03-5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.14487e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.06886e+03+5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.11874e+03+7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.40221e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.11874e+03-7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.03442e+03+4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.96119e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.03442e+03-4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.53358e+02-6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.78360e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.53358e+02+6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.81844e+02-1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.06626e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.81844e+02+1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.60242e+03-5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.14068e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.60242e+03+5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.92876e+03+6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.00403e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.92876e+03-6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.06886e+03-5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.14487e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.06886e+03+5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] 515 unique operators in the Hamiltonian descriptor. [...y_2_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 515/515 operators done, 208.1869 operators per second. [...y_2_spinach > liquid > relaxation > hamiltonian ] average worker process received 1.6551 MB and sent back 22.6208 MB [...y_2_spinach > liquid > relaxation > hamiltonian ] operator construction took 2.4778 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.24287 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...y_2_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 1.4435 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] maximum spherical rank in the giant spin Hamiltonian: 0 [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0026514 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of Q array: 0.12936 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] parallel evaluation path... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+2, p=+2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+1, p=+2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+0, p=+2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-1, p=+2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-2, p=+2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+2, p=+1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-2, p=+1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+2, p=+0, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+1, p=+0, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+0, p=+0, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-1, p=+0, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-2, p=+0, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+2, p=-1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-2, p=-1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+2, p=-2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+1, p=-2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+0, p=-2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-1, p=-2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-2, p=-2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] getting data from workers... [...son > maz_noesy_2_spinach > liquid > relaxation ] Redfield superoperator build time: 14.3803 seconds [...son > maz_noesy_2_spinach > liquid > relaxation ] scalar relaxation of the first kind... [..._noesy_2_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for all couplings. [...y_2_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286022.9555 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286223.0697 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286323.1267 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -36163035.9271 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285422.6131 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.4 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -11.6 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.2 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 12.7 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 44.8 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] 38 unique operators in the Hamiltonian descriptor. [...y_2_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 38/38 operators done, 121.0812 operators per second. [...y_2_spinach > liquid > relaxation > hamiltonian ] average worker process received 1.6091 MB and sent back 1.7358 MB [...y_2_spinach > liquid > relaxation > hamiltonian ] operator construction took 0.31793 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.018619 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...y_2_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.018497 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0026514 GB [..._noesy_2_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for all couplings. [..._noesy_2_spinach > liquid > relaxation > assume ] WARNING - all Zeeman interactions will be ignored. [...y_2_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 1. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 2. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 3. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 4. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 5. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 6. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 7. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 8. [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 15 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 15 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 15 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] 9 unique operators in the Hamiltonian descriptor. [...y_2_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 9/9 operators done, 115.1744 operators per second. [...y_2_spinach > liquid > relaxation > hamiltonian ] average worker process received 1.2999 MB and sent back 0.23005 MB [...y_2_spinach > liquid > relaxation > hamiltonian ] operator construction took 0.080352 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.0024633 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...y_2_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.002788 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.00045343 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] integrating the SRFK component... [... relaxation > rlx_scalar > expmint > propagator ] generator dimension 38628, nnz 357792, density 0.023979%, sparsity 1 [... relaxation > rlx_scalar > expmint > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [... relaxation > rlx_scalar > expmint > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [... relaxation > rlx_scalar > expmint > propagator ] scaling -i*L*dt down by 536870912 and squaring the propagator 29 times. [... relaxation > rlx_scalar > expmint > propagator ] Taylor series converged on CPU in 17 iterations. [... relaxation > rlx_scalar > expmint > propagator ] propagator dimension 38628, nnz 358256, density 0.02401%, sparsity 1 [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 1... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 2... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 3... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 4... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 5... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 6... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 7... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 8... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 9... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 10... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 11... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 12... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 13... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 14... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 15... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 16... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 17... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 18... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 19... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 20... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 21... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 22... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 23... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 24... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 25... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 26... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 27... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 28... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 29... [... relaxation > rlx_scalar > expmint > propagator ] propagator dimension 38628, nnz 63055766, density 4.2259%, sparsity 1 [...ch > liquid > relaxation > rlx_scalar > expmint ] processing auxiliary matrix blocks... [...son > maz_noesy_2_spinach > liquid > relaxation ] SRFK terms have been incorporated. [...son > maz_noesy_2_spinach > liquid > relaxation ] scalar relaxation of the second kind... [...son > maz_noesy_2_spinach > liquid > relaxation ] SRSK from spin 4 (14N, T1=4.3542e-05 s, T2=4.3539e-05 s): [...son > maz_noesy_2_spinach > liquid > relaxation ] > onto spin 1 (1H): +2.7524e-12 Hz to R1, +0.022186 Hz to R2 [...son > maz_noesy_2_spinach > liquid > relaxation ] > onto spin 3 (1H): +3.8442e-12 Hz to R1, +0.030987 Hz to R2 [...son > maz_noesy_2_spinach > liquid > relaxation ] > onto spin 5 (1H): +2.8534e-10 Hz to R1, +2.3 Hz to R2 [...son > maz_noesy_2_spinach > liquid > relaxation ] recursive call for SRSK relaxation terms... [...sy_2_spinach > liquid > relaxation > relaxation ] adding extended T1/T2 model terms... [...sy_2_spinach > liquid > relaxation > relaxation ] full relaxation superoperator density 0.0051679%, nnz 19278, sparsity 1 [...sy_2_spinach > liquid > relaxation > relaxation ] dynamic frequency shifts have been ignored. [...sy_2_spinach > liquid > relaxation > relaxation ] transverse cross-relaxation terms have been ignored. [...sy_2_spinach > liquid > relaxation > relaxation ] thermalisation method: none, relaxation to unit state [...sy_2_spinach > liquid > relaxation > relaxation ] final relaxation superoperator density 0.0040678%, nnz(R)=15174, sparsity 1 [...sy_2_spinach > liquid > relaxation > relaxation ] memory footprint of the relaxation superoperator: 0.00048307 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] SRSK relaxation theory terms have been incorporated. [...son > maz_noesy_2_spinach > liquid > relaxation ] full relaxation superoperator density 1.9228%, nnz 7172452, sparsity 1 [...son > maz_noesy_2_spinach > liquid > relaxation ] dynamic frequency shifts have been ignored. [...son > maz_noesy_2_spinach > liquid > relaxation ] transverse cross-relaxation terms have been ignored. [...son > maz_noesy_2_spinach > liquid > relaxation ] thermalisation method: none, relaxation to unit state [...son > maz_noesy_2_spinach > liquid > relaxation ] final relaxation superoperator density 0.0090561%, nnz(R)=33782, sparsity 1 [...son > maz_noesy_2_spinach > liquid > relaxation ] memory footprint of the relaxation superoperator: 0.00089899 GB [...rison > maz_noesy_2_spinach > liquid > kinetics ] no significant kinetics specified. [...rison > maz_noesy_2_spinach > liquid > kinetics ] kinetics superoperator set to zero. [...ison > maz_noesy_2_spinach > liquid > frqoffset ] applying 500 Hz Larmor frequency offset to 1H... [...> run_comparison > maz_noesy_2_spinach > liquid ] running the pulse sequence... [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. liquid/noesy 809.4 s [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, cos window function applied. [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, cos window function applied. [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, cos window function applied. [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, cos window function applied. processing 0.0 s [... run_comparison > maz_noesy_2_spinach > plot_2d ] plotting... plot 0.1 s total 813.5 s == maz_noesy_2 (Spinach /Users/alexej/Documents/PROG/spynach-spinach) -> /Users/alexej/Documents/PROG/spynach/comparison/runs/maz_noesy_2/spinach Running startup checks... [...> run_comparison > maz_noesy_2_spinach > create ] scratch location: /Users/alexej/Documents/PROG/spynach-spinach/scratch [...parison > maz_noesy_2_spinach > create > banner ] [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = SPINACH v2.13 = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = author list = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = documentation = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = book = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = MIT License = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] [...son > maz_noesy_2_spinach > create > tolerances ] Drop interaction tensors with 2-norms below (Hz) 2.00000000e+00 (user-specified) [...son > maz_noesy_2_spinach > create > tolerances ] Drop Liouvillian elements with norm below (rad/s) 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop relaxation superoperator elements with norm below (Hz) 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop propagator elements with norm below 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop subspaces with populations below 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop irreps with populations below 1.00000000e-10 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Steady state convergence tolerance 1.00000000e-08 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Number of time steps in ZTE sample 32 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] ZTE track drop threshold 1.00000000e-24 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] ZTE off for state vector densities above 0.5 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Drop dipolar couplings over more than (Angstrom) 4 (user-specified) [...son > maz_noesy_2_spinach > create > tolerances ] Krylov propagation for dimensions above 10000 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Basis set printing hush threshold 256 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Collect small subspaces into bundles of dimension 1000 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Force sparse algebra for matrix density below 0.15 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Force full algebra for matrix dimension below 200 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Rel. acc. for the elements of Redfield superoperator 1.00000000e-04 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Matrix exponential differentiation algorithm auxmat (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Number of PBC images for DD couplings in PBC systems 2 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Number of days before a cache record is deleted 365 (safe default) [...son > maz_noesy_2_spinach > create > tolerances ] Planck constant (hbar) 1.05457182e-34 [...son > maz_noesy_2_spinach > create > tolerances ] Boltzmann constant (k) 1.38064900e-23 [...son > maz_noesy_2_spinach > create > tolerances ] Free electron g-factor 2.00231930e+00 [...son > maz_noesy_2_spinach > create > tolerances ] Vacuum permeability 1.25663706e-06 [...son > maz_noesy_2_spinach > create > tolerances ] Bohr magneton 9.27401007e-24 [...> run_comparison > maz_noesy_2_spinach > create ] WARNING: the following functionality is disabled by the user [...> run_comparison > maz_noesy_2_spinach > create ] > Krylov propagation inside evolution() function [...> run_comparison > maz_noesy_2_spinach > create ] job identifier: 5fd8da14dfc6297cbd7dcba5aaee614a [...> run_comparison > maz_noesy_2_spinach > create ] random number generator shuffled [...> run_comparison > maz_noesy_2_spinach > create ] a running Spinach parallel pool found: [...> run_comparison > maz_noesy_2_spinach > create ] > parallel profile: Processes [...> run_comparison > maz_noesy_2_spinach > create ] > job identifier: 4eeb6af943e221a556f14be256709c6d [...> run_comparison > maz_noesy_2_spinach > create ] > worker processes: 11 [...> run_comparison > maz_noesy_2_spinach > create ] WARNING - this pool will be re-used [...> run_comparison > maz_noesy_2_spinach > create ] parallel pool ValueStore cleared. [...parison > maz_noesy_2_spinach > create > banner ] [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] = SPIN SYSTEM = [...parison > maz_noesy_2_spinach > create > banner ] = = [...parison > maz_noesy_2_spinach > create > banner ] ============================================ [...parison > maz_noesy_2_spinach > create > banner ] [...> run_comparison > maz_noesy_2_spinach > create ] a total of 8 particles in the simulation, of which 0 have a zero spin. [...> run_comparison > maz_noesy_2_spinach > create ] magnetic induction of 11.75 Tesla (-500.29 MHz proton frequency, 329.29 GHz electron frequency). [...> maz_noesy_2_spinach > create > summary_zeeman ] summary of Zeeman tensors and their anisotropies (ppm for nuclei, g-tensor for electrons) [...> maz_noesy_2_spinach > create > summary_zeeman ] ======================================================================================================= [...> maz_noesy_2_spinach > create > summary_zeeman ] # Spin 2S+1 Matrix Tr/3 norm[rank1] norm[rank2] [...> maz_noesy_2_spinach > create > summary_zeeman ] ------------------------------------------------------------------------------------------------------- [...> maz_noesy_2_spinach > create > summary_zeeman ] 1 1H 2 -1.019700e+00 -6.197700e+00 +3.606100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -3.375700e+00 +2.441600e+00 +8.672000e-01 +1.3000e+00 +2.4399e+00 +8.7139e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +6.860300e+00 +3.160300e+00 +2.478100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 2 1H 2 +4.789500e+00 +4.604000e-01 +3.967000e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -2.449100e+00 +1.532800e+00 -3.594100e+00 +1.7000e+00 +2.7599e+00 +6.6037e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -9.510000e-02 -5.939900e+00 -1.222300e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 3 1H 2 +4.313333e+00 +1.366200e+00 +3.466400e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.195000e-01 +8.337433e+00 +9.356000e-01 +1.9000e+00 +2.7701e+00 +8.9297e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -1.956700e+00 +5.013000e-01 -6.950767e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 4 14N 3 -2.784930e+01 -1.692860e+01 +2.833050e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] -2.279510e+01 +7.285280e+01 -1.853570e+01 -9.4739e-15 +2.1091e+01 +7.6700e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] +1.389030e+01 +2.066050e+01 -4.500350e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 5 1H 2 +4.811700e+00 -3.798100e+00 +3.974500e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +1.006500e+00 +1.291400e+00 +4.211900e+00 +1.0000e-01 +4.0596e+00 +1.0912e+01 [...> maz_noesy_2_spinach > create > summary_zeeman ] +1.199700e+00 +1.013950e+01 -5.803100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 6 1H 2 -2.125667e+00 -4.340200e+00 -8.099000e-01 [...> maz_noesy_2_spinach > create > summary_zeeman ] -3.392200e+00 +1.202133e+00 -1.222500e+00 +1.2000e+00 +1.0626e+00 +5.8881e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +7.891000e-01 -1.926000e-01 +4.523533e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 7 1H 2 -2.087000e+00 +4.730600e+00 -1.236600e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.641900e+00 +1.098900e+00 +1.118000e+00 +1.2000e+00 +9.7904e-01 +6.2563e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.469000e-01 +7.420000e-01 +4.588100e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] [...> maz_noesy_2_spinach > create > summary_zeeman ] 8 1H 2 +1.435567e+00 -1.078000e-01 +2.933900e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] -1.534000e-01 +4.966467e+00 -6.704000e-01 +1.2000e+00 +1.5342e-01 +5.6543e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] +3.218800e+00 -7.748000e-01 -2.802033e+00 [...> maz_noesy_2_spinach > create > summary_zeeman ] ======================================================================================================= [...> run_comparison > maz_noesy_2_spinach > create ] WARNING - no giant spin terms supplied, zeros assumed. [...> run_comparison > maz_noesy_2_spinach > create ] initializing interaction arrays... [..._noesy_2_spinach > create > summary_coordinates ] atomic coordinates (Angstrom) [..._noesy_2_spinach > create > summary_coordinates ] ====================================== [..._noesy_2_spinach > create > summary_coordinates ] N Spin X Y Z [..._noesy_2_spinach > create > summary_coordinates ] -------------------------------------- [..._noesy_2_spinach > create > summary_coordinates ] 1 1H -1.813 -1.099 +0.444 [..._noesy_2_spinach > create > summary_coordinates ] 2 1H -0.842 -1.116 -1.123 [..._noesy_2_spinach > create > summary_coordinates ] 3 1H +0.177 -0.023 +1.610 [..._noesy_2_spinach > create > summary_coordinates ] 4 14N -0.908 +0.812 -0.038 [..._noesy_2_spinach > create > summary_coordinates ] 5 1H -0.590 +1.188 -0.936 [..._noesy_2_spinach > create > summary_coordinates ] 6 1H +2.094 +0.832 +0.089 [..._noesy_2_spinach > create > summary_coordinates ] 7 1H +2.084 -0.944 +0.159 [..._noesy_2_spinach > create > summary_coordinates ] 8 1H +1.387 -0.108 -1.250 [..._noesy_2_spinach > create > summary_coordinates ] ====================================== [...> run_comparison > maz_noesy_2_spinach > create ] periodic boundary conditions not specified, assuming a standalone spin system. [...arison > maz_noesy_2_spinach > create > dipolar ] dipolar interaction distance threshold: 4 Angstrom. [...arison > maz_noesy_2_spinach > create > dipolar ] running dipolar interaction network analysis... [...arison > maz_noesy_2_spinach > create > dipolar ] found 27 spin pair(s) with distance under the threshold of 4 Angstrom. [...> run_comparison > maz_noesy_2_spinach > create ] processing coupling data... [...az_noesy_2_spinach > create > summary_couplings ] summary of coupling tensors and their anisotropies (Hz) [...az_noesy_2_spinach > create > summary_couplings ] ====================================================================================================== [...az_noesy_2_spinach > create > summary_couplings ] Spin A Spin B Matrix Tr/3 norm[rank1] norm[rank2] [...az_noesy_2_spinach > create > summary_couplings ] ------------------------------------------------------------------------------------------------------ [...az_noesy_2_spinach > create > summary_couplings ] 2 1 +1.613059e+03 +1.471080e+02 +1.287022e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.471080e+02 +9.581818e+03 -2.375109e+02 +0.0000e+00 +1.1580e-12 +1.9169e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.287022e+04 -2.375109e+02 -1.119488e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 1 -3.043425e+03 -3.614167e+03 -3.917988e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.614167e+03 +1.692772e+03 -2.116951e+03 -9.6500e-14 +0.0000e+00 +7.2911e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.917988e+03 -2.116951e+03 +1.350654e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 1 +2.075457e+02 -4.698288e+02 +1.187104e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.698288e+02 -5.612434e+02 +2.505034e+02 +4.4000e+00 +7.2375e-14 +8.5158e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.187104e+02 +2.505034e+02 +3.668977e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 1 +1.137531e+03 -2.302183e+03 +1.390340e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.302183e+03 -1.936158e+03 +2.599805e+03 +0.0000e+00 +2.0471e-13 +4.7374e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.390340e+03 +2.599805e+03 +7.986268e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 1 -1.987616e+03 -1.185299e+02 +2.189575e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.185299e+02 +9.994724e+02 +8.674758e+00 +0.0000e+00 +9.0469e-15 +2.0083e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.189575e+02 +8.674758e+00 +9.881436e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 1 -1.339288e+03 -7.658088e+02 +1.310564e+03 [...az_noesy_2_spinach > create > summary_couplings ] -7.658088e+02 +8.981991e+02 +4.055953e+02 +2.4125e-14 +0.0000e+00 +2.2704e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.310564e+03 +4.055953e+02 +4.410885e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 2 +1.601459e+03 +1.471080e+02 +1.287022e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.471080e+02 +9.570218e+03 -2.375109e+02 -1.1600e+01 +1.1580e-12 +1.9169e+04 [...az_noesy_2_spinach > create > summary_couplings ] +1.287022e+04 -2.375109e+02 -1.120648e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 2 +1.348984e+03 -6.846490e+02 -1.711657e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.846490e+02 +1.253080e+03 -1.835732e+03 +0.0000e+00 +1.6184e-13 +3.9747e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.711657e+03 -1.835732e+03 -2.602063e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 2 +3.993456e+02 +3.093114e+01 +1.739738e+01 [...az_noesy_2_spinach > create > summary_couplings ] +3.093114e+01 -5.113157e+02 -5.127964e+02 -6.0313e-15 +2.2617e-15 +8.0079e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.739738e+01 -5.127964e+02 +1.119700e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 2 +4.605968e+03 -1.538460e+03 -1.243991e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.538460e+03 -9.288300e+03 -1.137093e+03 +0.0000e+00 +9.0469e-15 +9.5486e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.243991e+02 -1.137093e+03 +4.682332e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 2 -1.000829e+03 -1.434829e+03 -8.921332e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.434829e+03 +2.083035e+02 -5.921915e+02 +4.8250e-14 +0.0000e+00 +2.3215e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.921332e+02 -5.921915e+02 +7.925259e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 2 -2.767870e+03 -2.709279e+02 -2.015690e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.709279e+02 +1.817466e+03 -1.186856e+02 +0.0000e+00 +0.0000e+00 +3.6668e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.015690e+03 -1.186856e+02 +9.504041e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 2 -6.059815e+03 -4.587832e+03 +5.803920e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.587832e+03 +2.009022e+03 +2.624989e+02 +0.0000e+00 +2.8950e-13 +8.1680e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.803920e+02 +2.624989e+02 +4.050793e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 3 -3.037925e+03 -3.614167e+03 -3.917988e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.614167e+03 +1.698272e+03 -2.116951e+03 +5.5000e+00 +0.0000e+00 +7.2911e+03 [...az_noesy_2_spinach > create > summary_couplings ] -3.917988e+03 -2.116951e+03 +1.356154e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 3 +1.348984e+03 -6.846490e+02 -1.711657e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.846490e+02 +1.253080e+03 -1.835732e+03 +0.0000e+00 +1.6184e-13 +3.9747e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.711657e+03 -1.835732e+03 -2.602063e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 3 +1.072409e+02 +2.612730e+02 -5.156478e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.612730e+02 +2.453897e+02 +3.970390e+02 +5.2000e+00 +8.0918e-14 +8.8273e+02 [...az_noesy_2_spinach > create > summary_couplings ] -5.156478e+02 +3.970390e+02 -3.370306e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 3 +1.908888e+03 +7.854594e+02 -1.651158e+03 [...az_noesy_2_spinach > create > summary_couplings ] +7.854594e+02 +1.165952e+03 +2.607385e+03 -1.9300e-13 +3.2367e-13 +4.8126e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.651158e+03 +2.607385e+03 -3.074840e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 3 -2.206962e+03 -2.524683e+03 +4.487945e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.524683e+03 +2.320794e+03 +2.003678e+03 +7.8407e-14 +2.8950e-13 +6.8959e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.487945e+03 +2.003678e+03 -1.138325e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 3 -2.328370e+03 +2.837806e+03 +4.471256e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.837806e+03 +2.179730e+03 -2.158608e+03 -6.0313e-15 +3.2367e-13 +7.0995e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.471256e+03 -2.158608e+03 +1.486402e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 3 +1.091292e+03 +6.390757e+01 +2.153979e+03 [...az_noesy_2_spinach > create > summary_couplings ] +6.390757e+01 +1.998008e+03 -1.510711e+02 +0.0000e+00 +4.5235e-15 +4.0050e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.153979e+03 -1.510711e+02 -3.089300e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 4 +2.031457e+02 -4.698288e+02 +1.187104e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.698288e+02 -5.656434e+02 +2.505034e+02 -2.4125e-14 +7.2375e-14 +8.5158e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.187104e+02 +2.505034e+02 +3.624977e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 4 +3.993456e+02 +3.093114e+01 +1.739738e+01 [...az_noesy_2_spinach > create > summary_couplings ] +3.093114e+01 -5.113157e+02 -5.127964e+02 -6.0313e-15 +2.2617e-15 +8.0079e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.739738e+01 -5.127964e+02 +1.119700e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 4 +1.020409e+02 +2.612730e+02 -5.156478e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.612730e+02 +2.401897e+02 +3.970390e+02 +2.4125e-14 +8.0918e-14 +8.8273e+02 [...az_noesy_2_spinach > create > summary_couplings ] -5.156478e+02 +3.970390e+02 -3.422306e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 4 -1.293200e+06 +6.251000e+05 +1.870000e+06 [...az_noesy_2_spinach > create > summary_couplings ] +6.251000e+05 +1.717000e+06 -2.312700e+06 -2.4704e-11 +0.0000e+00 +3.5484e+06 [...az_noesy_2_spinach > create > summary_couplings ] +1.870000e+06 -2.312700e+06 -4.238000e+05 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 4 +2.875051e+03 -1.379897e+03 +3.294563e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.379897e+03 +2.404804e+03 +3.903415e+03 +0.0000e+00 +0.0000e+00 +8.0794e+03 [...az_noesy_2_spinach > create > summary_couplings ] +3.294563e+03 +3.903415e+03 -5.279855e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 4 -3.193942e+02 -3.282394e+00 -2.031508e+01 [...az_noesy_2_spinach > create > summary_couplings ] -3.282394e+00 +1.601162e+02 -1.390564e-01 +6.0313e-15 +0.0000e+00 +3.2028e+02 [...az_noesy_2_spinach > create > summary_couplings ] -2.031508e+01 -1.390564e-01 +1.592780e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 4 -1.266751e+02 +1.350741e+02 -1.518933e+01 [...az_noesy_2_spinach > create > summary_couplings ] +1.350741e+02 +2.420176e+01 +8.914518e+00 -6.0313e-15 +0.0000e+00 +2.0695e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.518933e+01 +8.914518e+00 +1.024734e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 4 -2.253744e+02 +1.737472e+02 +2.289087e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.737472e+02 +1.383144e+02 -9.177840e+01 +0.0000e+00 +9.0469e-15 +4.1595e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.289087e+02 -9.177840e+01 +8.706009e+01 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 5 +1.145031e+03 -2.302183e+03 +1.390340e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.302183e+03 -1.928658e+03 +2.599805e+03 +7.5000e+00 +2.0471e-13 +4.7374e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.390340e+03 +2.599805e+03 +8.061268e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 5 +4.618668e+03 -1.538460e+03 -1.243991e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.538460e+03 -9.275600e+03 -1.137093e+03 +1.2700e+01 +9.0469e-15 +9.5486e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.243991e+02 -1.137093e+03 +4.695032e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 5 +1.908888e+03 +7.854594e+02 -1.651158e+03 [...az_noesy_2_spinach > create > summary_couplings ] +7.854594e+02 +1.165952e+03 +2.607385e+03 -1.9300e-13 +3.2367e-13 +4.8126e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.651158e+03 +2.607385e+03 -3.074840e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 5 +2.919851e+03 -1.379897e+03 +3.294563e+03 [...az_noesy_2_spinach > create > summary_couplings ] -1.379897e+03 +2.449604e+03 +3.903415e+03 +4.4800e+01 +0.0000e+00 +8.0794e+03 [...az_noesy_2_spinach > create > summary_couplings ] +3.294563e+03 +3.903415e+03 -5.235055e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 5 -3.907262e+03 +8.458910e+02 -2.438651e+03 [...az_noesy_2_spinach > create > summary_couplings ] +8.458910e+02 +2.363442e+03 +3.231858e+02 +0.0000e+00 +1.8094e-14 +4.9511e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.438651e+03 +3.231858e+02 +1.543820e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 5 -8.601209e+02 +1.719263e+03 -8.835014e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.719263e+03 -7.429576e+01 +7.043683e+02 +0.0000e+00 +0.0000e+00 +2.5928e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.835014e+02 +7.043683e+02 +9.344167e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 5 -4.701092e+03 +5.984764e+03 +1.449234e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.984764e+03 +5.037447e+02 -9.501349e+02 +0.0000e+00 +6.0119e-13 +8.8549e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.449234e+03 -9.501349e+02 +4.197348e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 6 -1.000829e+03 -1.434829e+03 -8.921332e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.434829e+03 +2.083035e+02 -5.921915e+02 +4.8250e-14 +0.0000e+00 +2.3215e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.921332e+02 -5.921915e+02 +7.925259e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 6 -2.202462e+03 -2.524683e+03 +4.487945e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.524683e+03 +2.325294e+03 +2.003678e+03 +4.5000e+00 +2.8950e-13 +6.8959e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.487945e+03 +2.003678e+03 -1.093325e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 6 -3.193942e+02 -3.282394e+00 -2.031508e+01 [...az_noesy_2_spinach > create > summary_couplings ] -3.282394e+00 +1.601162e+02 -1.390564e-01 +6.0313e-15 +0.0000e+00 +3.2028e+02 [...az_noesy_2_spinach > create > summary_couplings ] -2.031508e+01 -1.390564e-01 +1.592780e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 6 -3.907262e+03 +8.458910e+02 -2.438651e+03 [...az_noesy_2_spinach > create > summary_couplings ] +8.458910e+02 +2.363442e+03 +3.231858e+02 +0.0000e+00 +1.8094e-14 +4.9511e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.438651e+03 +3.231858e+02 +1.543820e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 6 +1.068580e+04 -1.684673e+02 +6.667806e+00 [...az_noesy_2_spinach > create > summary_couplings ] -1.684673e+02 -2.132234e+04 +1.266892e+03 +0.0000e+00 +1.8103e-14 +2.1373e+04 [...az_noesy_2_spinach > create > summary_couplings ] +6.667806e+00 +1.266892e+03 +1.063654e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 6 +5.604635e+03 -6.653064e+03 -9.473209e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.653064e+03 +1.747121e+03 -1.260960e+04 +3.8600e-13 +5.7900e-13 +2.1206e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.473209e+03 -1.260960e+04 -7.351757e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 7 -1.987616e+03 -1.185299e+02 +2.189575e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.185299e+02 +9.994724e+02 +8.674758e+00 +0.0000e+00 +9.0469e-15 +2.0083e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.189575e+02 +8.674758e+00 +9.881436e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 7 -2.767870e+03 -2.709279e+02 -2.015690e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.709279e+02 +1.817466e+03 -1.186856e+02 +0.0000e+00 +0.0000e+00 +3.6668e+03 [...az_noesy_2_spinach > create > summary_couplings ] -2.015690e+03 -1.186856e+02 +9.504041e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 7 -2.323870e+03 +2.837806e+03 +4.471256e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.837806e+03 +2.184230e+03 -2.158608e+03 +4.5000e+00 +3.2367e-13 +7.0995e+03 [...az_noesy_2_spinach > create > summary_couplings ] +4.471256e+03 -2.158608e+03 +1.531402e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 7 -1.266751e+02 +1.350741e+02 -1.518933e+01 [...az_noesy_2_spinach > create > summary_couplings ] +1.350741e+02 +2.420176e+01 +8.914518e+00 -6.0313e-15 +0.0000e+00 +2.0695e+02 [...az_noesy_2_spinach > create > summary_couplings ] -1.518933e+01 +8.914518e+00 +1.024734e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 7 -8.601209e+02 +1.719263e+03 -8.835014e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.719263e+03 -7.429576e+01 +7.043683e+02 +0.0000e+00 +0.0000e+00 +2.5928e+03 [...az_noesy_2_spinach > create > summary_couplings ] -8.835014e+02 +7.043683e+02 +9.344167e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 7 +1.068580e+04 -1.684673e+02 +6.667806e+00 [...az_noesy_2_spinach > create > summary_couplings ] -1.684673e+02 -2.132234e+04 +1.266892e+03 +0.0000e+00 +1.8103e-14 +2.1373e+04 [...az_noesy_2_spinach > create > summary_couplings ] +6.667806e+00 +1.266892e+03 +1.063654e+04 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 8 7 +5.742781e+03 +5.861100e+03 -9.883216e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.861100e+03 +3.605059e+03 +1.184857e+04 -3.8600e-13 +1.1580e-12 +2.1263e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.883216e+03 +1.184857e+04 -9.347839e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 1 8 -1.339288e+03 -7.658088e+02 +1.310564e+03 [...az_noesy_2_spinach > create > summary_couplings ] -7.658088e+02 +8.981991e+02 +4.055953e+02 +2.4125e-14 +0.0000e+00 +2.2704e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.310564e+03 +4.055953e+02 +4.410885e+02 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 2 8 -6.059815e+03 -4.587832e+03 +5.803920e+02 [...az_noesy_2_spinach > create > summary_couplings ] -4.587832e+03 +2.009022e+03 +2.624989e+02 +0.0000e+00 +2.8950e-13 +8.1680e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.803920e+02 +2.624989e+02 +4.050793e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 3 8 +1.095792e+03 +6.390757e+01 +2.153979e+03 [...az_noesy_2_spinach > create > summary_couplings ] +6.390757e+01 +2.002508e+03 -1.510711e+02 +4.5000e+00 +4.5235e-15 +4.0050e+03 [...az_noesy_2_spinach > create > summary_couplings ] +2.153979e+03 -1.510711e+02 -3.084800e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 4 8 -2.253744e+02 +1.737472e+02 +2.289087e+02 [...az_noesy_2_spinach > create > summary_couplings ] +1.737472e+02 +1.383144e+02 -9.177840e+01 +0.0000e+00 +9.0469e-15 +4.1595e+02 [...az_noesy_2_spinach > create > summary_couplings ] +2.289087e+02 -9.177840e+01 +8.706009e+01 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 5 8 -4.701092e+03 +5.984764e+03 +1.449234e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.984764e+03 +5.037447e+02 -9.501349e+02 +0.0000e+00 +6.0119e-13 +8.8549e+03 [...az_noesy_2_spinach > create > summary_couplings ] +1.449234e+03 -9.501349e+02 +4.197348e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 6 8 +5.604635e+03 -6.653064e+03 -9.473209e+03 [...az_noesy_2_spinach > create > summary_couplings ] -6.653064e+03 +1.747121e+03 -1.260960e+04 +3.8600e-13 +5.7900e-13 +2.1206e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.473209e+03 -1.260960e+04 -7.351757e+03 [...az_noesy_2_spinach > create > summary_couplings ] [...az_noesy_2_spinach > create > summary_couplings ] 7 8 +5.742781e+03 +5.861100e+03 -9.883216e+03 [...az_noesy_2_spinach > create > summary_couplings ] +5.861100e+03 +3.605059e+03 +1.184857e+04 -3.8600e-13 +1.1580e-12 +2.1263e+04 [...az_noesy_2_spinach > create > summary_couplings ] -9.883216e+03 +1.184857e+04 -9.347839e+03 [...az_noesy_2_spinach > create > summary_couplings ] ====================================================================================================== [...> run_comparison > maz_noesy_2_spinach > create ] WARNING - spin temperature not specified, assuming 298 Kelvin [...> run_comparison > maz_noesy_2_spinach > create ] relaxation theory 1: redfield [...> run_comparison > maz_noesy_2_spinach > create ] relaxation theory 2: SRFK [...> run_comparison > maz_noesy_2_spinach > create ] relaxation theory 3: SRSK [...> run_comparison > maz_noesy_2_spinach > create ] chemical subsystem 1, rotational correlation time(s): 2.5e-11 seconds [...> run_comparison > maz_noesy_2_spinach > create ] terms to keep in the relaxation superoperator: kite [...> run_comparison > maz_noesy_2_spinach > create ] action to take on dynamic frequency shifts: ignore [...> run_comparison > maz_noesy_2_spinach > create ] SRFK autocorrelation function component 1: [...> run_comparison > maz_noesy_2_spinach > create ] component weight: 1 [...> run_comparison > maz_noesy_2_spinach > create ] correlation time: 0.001 seconds [...> run_comparison > maz_noesy_2_spinach > create ] SRFK modulation depth for spins 1,5: 15 Hz [...> run_comparison > maz_noesy_2_spinach > create ] SRFK modulation depth for spins 2,5: 15 Hz [...> run_comparison > maz_noesy_2_spinach > create ] SRFK modulation depth for spins 3,5: 15 Hz [...> run_comparison > maz_noesy_2_spinach > create ] thermalisation method: zero create 1.3 s [...mparison > maz_noesy_2_spinach > basis > banner ] [...mparison > maz_noesy_2_spinach > basis > banner ] ============================================ [...mparison > maz_noesy_2_spinach > basis > banner ] = = [...mparison > maz_noesy_2_spinach > basis > banner ] = BASIS SET = [...mparison > maz_noesy_2_spinach > basis > banner ] = = [...mparison > maz_noesy_2_spinach > basis > banner ] ============================================ [...mparison > maz_noesy_2_spinach > basis > banner ] [...az_noesy_2_spinach > basis > summary_basis_opts ] spherical tensor basis set using Liouville space matrix formalism. [...az_noesy_2_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations involving all nearest neighbours of each spin on the coupling graph. [...az_noesy_2_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations up to order 4 between all spins within 4 Angstrom of each other. [...az_noesy_2_spinach > basis > summary_basis_opts ] IK-2 approximation - coupling graph from scalar couplings, tensors with 2-norm below 2 Hz dropped. [... > run_comparison > maz_noesy_2_spinach > basis ] coupling tensors with norm below 2 Hz will be ignored. [... > run_comparison > maz_noesy_2_spinach > basis ] scalar couplings will be used to build the coupling graph. [... > run_comparison > maz_noesy_2_spinach > basis ] connectivity matrix density 43.75% [... > run_comparison > maz_noesy_2_spinach > basis ] proximity matrix density 96.875% [... > run_comparison > maz_noesy_2_spinach > basis ] chemical substance 1, 8 spins: [... > run_comparison > maz_noesy_2_spinach > basis ] 8 subgraphs generated from coupling data. [... > run_comparison > maz_noesy_2_spinach > basis ] 70 subgraphs generated from proximity data. [... > run_comparison > maz_noesy_2_spinach > basis ] keeping 50 subgraphs with 4 spins each. [... > run_comparison > maz_noesy_2_spinach > basis ] keeping 1 subgraphs with 5 spins each. [... > run_comparison > maz_noesy_2_spinach > basis ] keeping 1 subgraphs with 6 spins each. [... > run_comparison > maz_noesy_2_spinach > basis ] building basis set descriptor... [... > run_comparison > maz_noesy_2_spinach > basis ] eliminating redundant states... [... > run_comparison > maz_noesy_2_spinach > basis ] sorting the basis... [... > run_comparison > maz_noesy_2_spinach > basis ] chemical substance 1: 19313 states. [...n > maz_noesy_2_spinach > basis > summary_basis ] over 256 states in the basis - printing suppressed. [...n > maz_noesy_2_spinach > basis > summary_basis ] state space dimension 19314 (13.0981% of the full state space). [...arison > maz_noesy_2_spinach > basis > symmetry ] no symmetry information available. [... > run_comparison > maz_noesy_2_spinach > basis ] caching Lie structure tables... basis 3.7 s [...parison > maz_noesy_2_spinach > liquid > banner ] [...parison > maz_noesy_2_spinach > liquid > banner ] ============================================ [...parison > maz_noesy_2_spinach > liquid > banner ] = = [...parison > maz_noesy_2_spinach > liquid > banner ] = PULSE SEQUENCE = [...parison > maz_noesy_2_spinach > liquid > banner ] = = [...parison > maz_noesy_2_spinach > liquid > banner ] ============================================ [...parison > maz_noesy_2_spinach > liquid > banner ] [...rison > maz_noesy_2_spinach > liquid > defaults ] parameters.decouple field not set, assuming no decoupling. [...rison > maz_noesy_2_spinach > liquid > defaults ] parameters.rframes field not set, assuming no additional rotating frame transformations. [...rison > maz_noesy_2_spinach > liquid > defaults ] parameters.needs field not set, assumpting empty. [...parison > maz_noesy_2_spinach > liquid > assume ] generic high-field NMR assumption set: [...parison > maz_noesy_2_spinach > liquid > assume ] rotating frame approximation for electrons, [...parison > maz_noesy_2_spinach > liquid > assume ] rotating frame approximation for nuclei, [...parison > maz_noesy_2_spinach > liquid > assume ] secular terms for electron Zeeman interactions, [...parison > maz_noesy_2_spinach > liquid > assume ] secular terms for nuclear Zeeman interactions, [...parison > maz_noesy_2_spinach > liquid > assume ] secular terms for giant spin model interactions, [...parison > maz_noesy_2_spinach > liquid > assume ] secular coupling terms for spins belonging to the same species, [...parison > maz_noesy_2_spinach > liquid > assume ] weak coupling terms for spins belonging to different species, [...parison > maz_noesy_2_spinach > liquid > assume ] secular coupling terms for quadratic couplings. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] building Hamiltonian descriptor... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 1... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -650.371 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 2... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -850.4851 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 3... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -950.5422 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -50.0285 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 6... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -600.3424 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 7... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -600.3424 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 8... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (Lz) x -600.3424 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (z,z) part of the isotropic coupling for spins 4,1... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LzSz) x 4.4 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,2... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -11.6 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,3... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (z,z) part of the isotropic coupling for spins 4,3... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LzSz) x 5.2 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 12.7 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (z,z) part of the isotropic coupling for spins 4,5... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LzSz) x 44.8 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,6... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,7... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,8... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...on > maz_noesy_2_spinach > liquid > hamiltonian ] 31 unique operators in the Hamiltonian descriptor. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] building individual operators... [..._2_spinach > liquid > hamiltonian > parfor/spmd ] 31/31 operators done, 87.5213 operators per second. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] average worker process received 1.6038 MB and sent back 1.2053 MB [...on > maz_noesy_2_spinach > liquid > hamiltonian ] operator construction took 0.35854 seconds [...on > maz_noesy_2_spinach > liquid > hamiltonian ] operator array footprint: 0.012924 GB [...on > maz_noesy_2_spinach > liquid > hamiltonian ] assembling the Hamiltonian... [...on > maz_noesy_2_spinach > liquid > hamiltonian ] Hamiltonian assembly took 0.01867 seconds [...on > maz_noesy_2_spinach > liquid > hamiltonian ] WARNING - only the isotropic part has been returned. [...on > maz_noesy_2_spinach > liquid > hamiltonian ] memory footprint of I array: 0.00187 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] Redfield theory (rotational diffusion). [...son > maz_noesy_2_spinach > liquid > relaxation ] computing the lab frame Hamiltonian superoperator... [..._noesy_2_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for all couplings. [...y_2_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286022.9555 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 814.0143-573.6022i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 814.0143+573.6022i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 2618.0934-1007.4497i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x -721.8477 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -2618.0934-1007.4497i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286223.0697 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -1016.1046+586.78471i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -1016.1046-586.78471i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 968.52747+2384.8604i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 1790.5573 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -968.52747+2384.8604i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286323.1267 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -1356.5488+108.63697i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -1356.5488-108.63697i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 377.6404-359.43i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 5423.059 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -377.6404-359.43i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -36163035.9271 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -261.1007-708.7268i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -261.1007+708.7268i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 763.4162-38.41961i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 1993.2272 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -763.4162-38.41961i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete quadratic coupling for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,+2) x -1.50510e+06-6.25100e+05i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,+1) x -1.87000e+06-2.31270e+06i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2, 0) x -5.19047e+05 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,-1) x +1.87000e+06-2.31270e+06i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T(2,-2) x -1.50510e+06+6.25100e+05i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285422.6131 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x -694.09593-1482.7458i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x -694.09593+1482.7458i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 1294.2883-3589.8977i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 3616.9589 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -1294.2883-3589.8977i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 399.9782-257.622i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 399.9782+257.622i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x -5.202968+353.9769i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x -2036.4018 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x 5.202968+353.9769i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 396.1009+94.05365i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 396.1009-94.05365i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x -222.5519-465.2654i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x -2075.9632 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x 222.5519-465.2654i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic Zeeman interaction for spin 8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,+1]: -0.5*(Lp) x 71.2657+26.1149i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[1,-1]: -0.5*(Lm) x 71.2657-26.1149i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(Lp) x 1539.0529+361.50621i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(Lz) x 2452.1336 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(Lm) x -1539.0529+361.50621i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.98438e+03-1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.37109e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.98438e+03+1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.36810e+03+3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.65421e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.36810e+03-3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.4 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.84395e+02+4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.43967e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.84395e+02-4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.53684e+03+2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.78114e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.53684e+03-2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.49354e+03+1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.21022e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.49354e+03-1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.11874e+03+7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.40221e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.11874e+03-7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -11.6 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.98438e+03-1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.37109e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.28702e+04-2.37511e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.98438e+03+1.47108e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.79520e+01+6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.18686e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.79520e+01-6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.55331e+02-3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37135e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.55331e+02+3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.94713e+03+1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.73466e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.94713e+03-1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.04566e+02+1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.70642e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.04566e+02-1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.29267e+03+2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.16400e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.29267e+03-2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.03442e+03+4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.96119e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.03442e+03-4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.36810e+03+3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.65421e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.91799e+03-2.11695e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.36810e+03-3.61417e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.79520e+01+6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.18686e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.71166e+03-1.83573e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.79520e+01-6.84649e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.2 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.90744e+01-2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.19145e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.90744e+01+2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.71468e+02-7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.76589e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.71468e+02+7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.26388e+03+2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.39416e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.26388e+03-2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.25405e+03-2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.82046e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.25405e+03+2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.53358e+02-6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.78360e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.53358e+02+6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.84395e+02+4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.43967e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.18710e+02+2.50503e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.84395e+02-4.69829e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.55331e+02-3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37135e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.73974e+01-5.12796e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.55331e+02+3.09311e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.90744e+01-2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.19145e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.15648e+02+3.97039e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.90744e+01+2.61273e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.35123e+02+1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.46647e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.35123e+02-1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39755e+02+3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.95075e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39755e+02-3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.54384e+01-1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25504e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.54384e+01+1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,4... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.81844e+02-1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.06626e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.81844e+02+1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.53684e+03+2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.78114e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.39034e+03+2.59980e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.53684e+03-2.30218e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 12.7 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.94713e+03+1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.73466e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.24399e+02-1.13709e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.94713e+03-1.53846e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.71468e+02-7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.76589e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.65116e+03+2.60739e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.71468e+02+7.85459e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 44.8 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.35123e+02+1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.46647e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.29456e+03+3.90341e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.35123e+02-1.37990e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.13535e+03-8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.89079e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.13535e+03+8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.92913e+02-1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14442e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.92913e+02+1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.60242e+03-5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.14068e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.60242e+03+5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.04566e+02+1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.70642e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.92133e+02-5.92192e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.04566e+02-1.43483e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.26388e+03+2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.39416e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.48794e+03+2.00368e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.26388e+03-2.52468e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39755e+02+3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.95075e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.03151e+01-1.39056e-01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39755e+02-3.28239e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.13535e+03-8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.89079e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.43865e+03+3.23186e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.13535e+03+8.45891e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.60041e+04+1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.30271e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.60041e+04-1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.92876e+03+6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.00403e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.92876e+03-6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.49354e+03+1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.21022e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.18958e+02+8.67476e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.49354e+03-1.18530e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.29267e+03+2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.16400e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.01569e+03-1.18686e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.29267e+03-2.70928e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.25405e+03-2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.82046e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.47126e+03-2.15861e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.25405e+03+2.83781e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.54384e+01-1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25504e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.51893e+01+8.91452e+00i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.54384e+01+1.35074e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.92913e+02-1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14442e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.83501e+02+7.04368e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.92913e+02+1.71926e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.60041e+04+1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.30271e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +6.66781e+00+1.26689e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.60041e+04-1.68467e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.06886e+03-5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.14487e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.06886e+03+5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.11874e+03+7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.40221e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.31056e+03+4.05595e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.11874e+03-7.65809e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.03442e+03+4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.96119e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.80392e+02+2.62499e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.03442e+03-4.58783e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.53358e+02-6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -3.78360e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.15398e+03-1.51071e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.53358e+02+6.39076e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.81844e+02-1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.06626e+02 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.28909e+02-9.17784e+01i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.81844e+02+1.73747e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.60242e+03-5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.14068e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44923e+03-9.50135e+02i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.60242e+03+5.98476e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.92876e+03+6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.00403e+03 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.47321e+03-1.26096e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.92876e+03-6.65306e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.06886e+03-5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.14487e+04 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -9.88322e+03+1.18486e+04i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.06886e+03+5.86110e+03i Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] 515 unique operators in the Hamiltonian descriptor. [...y_2_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 515/515 operators done, 180.1033 operators per second. [...y_2_spinach > liquid > relaxation > hamiltonian ] average worker process received 1.6551 MB and sent back 22.6208 MB [...y_2_spinach > liquid > relaxation > hamiltonian ] operator construction took 2.8634 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.24287 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...y_2_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 1.4815 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] maximum spherical rank in the giant spin Hamiltonian: 0 [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0026514 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of Q array: 0.12936 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] parallel evaluation path... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=1, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+2, p=+2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+1, p=+2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+0, p=+2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-1, p=+2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-2, p=+2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+2, p=+1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-2, p=+1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+2, p=+0, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+1, p=+0, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+0, p=+0, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-1, p=+0, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-2, p=+0, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+2, p=-1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-2, p=-1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+2, p=-2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+1, p=-2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+0, p=-2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-1, p=-2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-2, p=-2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] getting data from workers... [...son > maz_noesy_2_spinach > liquid > relaxation ] Redfield superoperator build time: 19.2847 seconds [...son > maz_noesy_2_spinach > liquid > relaxation ] scalar relaxation of the first kind... [..._noesy_2_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for all couplings. [...y_2_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286022.9555 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286223.0697 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500286323.1267 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -36163035.9271 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285422.6131 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (Lz) x -500285972.927 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,1... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.4 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -11.6 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,3... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.2 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 12.7 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 4,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 44.8 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,6... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,7... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,8... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.5 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] 38 unique operators in the Hamiltonian descriptor. [...y_2_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 38/38 operators done, 90.6108 operators per second. [...y_2_spinach > liquid > relaxation > hamiltonian ] average worker process received 1.6091 MB and sent back 1.7358 MB [...y_2_spinach > liquid > relaxation > hamiltonian ] operator construction took 0.42423 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.018619 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...y_2_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.021987 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0026514 GB [..._noesy_2_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [..._noesy_2_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [..._noesy_2_spinach > liquid > relaxation > assume ] all terms for all couplings. [..._noesy_2_spinach > liquid > relaxation > assume ] WARNING - all Zeeman interactions will be ignored. [...y_2_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 1. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 2. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 3. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 4. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 5. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 6. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 7. [...y_2_spinach > liquid > relaxation > hamiltonian ] isotropic Zeeman interaction ignored for spin 8. [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 15 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 15 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,5... [...y_2_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 15 Hz [...y_2_spinach > liquid > relaxation > hamiltonian ] 9 unique operators in the Hamiltonian descriptor. [...y_2_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 9/9 operators done, 91.1612 operators per second. [...y_2_spinach > liquid > relaxation > hamiltonian ] average worker process received 1.2999 MB and sent back 0.23005 MB [...y_2_spinach > liquid > relaxation > hamiltonian ] operator construction took 0.10151 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.0024633 GB [...y_2_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...y_2_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.002604 seconds [...y_2_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...y_2_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.00045343 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] integrating the SRFK component... [... relaxation > rlx_scalar > expmint > propagator ] generator dimension 38628, nnz 357792, density 0.023979%, sparsity 1 [... relaxation > rlx_scalar > expmint > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [... relaxation > rlx_scalar > expmint > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [... relaxation > rlx_scalar > expmint > propagator ] scaling -i*L*dt down by 536870912 and squaring the propagator 29 times. [... relaxation > rlx_scalar > expmint > propagator ] Taylor series converged on CPU in 17 iterations. [... relaxation > rlx_scalar > expmint > propagator ] propagator dimension 38628, nnz 358256, density 0.02401%, sparsity 1 [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 1... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 2... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 3... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 4... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 5... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 6... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 7... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 8... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 9... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 10... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 11... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 12... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 13... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 14... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 15... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 16... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 17... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 18... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 19... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 20... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 21... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 22... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 23... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 24... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 25... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 26... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 27... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 28... [... relaxation > rlx_scalar > expmint > propagator ] CPU squaring step 29... [... relaxation > rlx_scalar > expmint > propagator ] propagator dimension 38628, nnz 63055766, density 4.2259%, sparsity 1 [...ch > liquid > relaxation > rlx_scalar > expmint ] processing auxiliary matrix blocks... [...son > maz_noesy_2_spinach > liquid > relaxation ] SRFK terms have been incorporated. [...son > maz_noesy_2_spinach > liquid > relaxation ] scalar relaxation of the second kind... [...son > maz_noesy_2_spinach > liquid > relaxation ] SRSK from spin 4 (14N, T1=4.3542e-05 s, T2=4.3539e-05 s): [...son > maz_noesy_2_spinach > liquid > relaxation ] > onto spin 1 (1H): +2.7524e-12 Hz to R1, +0.022186 Hz to R2 [...son > maz_noesy_2_spinach > liquid > relaxation ] > onto spin 3 (1H): +3.8442e-12 Hz to R1, +0.030987 Hz to R2 [...son > maz_noesy_2_spinach > liquid > relaxation ] > onto spin 5 (1H): +2.8534e-10 Hz to R1, +2.3 Hz to R2 [...son > maz_noesy_2_spinach > liquid > relaxation ] recursive call for SRSK relaxation terms... [...sy_2_spinach > liquid > relaxation > relaxation ] adding extended T1/T2 model terms... [...sy_2_spinach > liquid > relaxation > relaxation ] full relaxation superoperator density 0.0051679%, nnz 19278, sparsity 1 [...sy_2_spinach > liquid > relaxation > relaxation ] dynamic frequency shifts have been ignored. [...sy_2_spinach > liquid > relaxation > relaxation ] transverse cross-relaxation terms have been ignored. [...sy_2_spinach > liquid > relaxation > relaxation ] thermalisation method: none, relaxation to unit state [...sy_2_spinach > liquid > relaxation > relaxation ] final relaxation superoperator density 0.0040678%, nnz(R)=15174, sparsity 1 [...sy_2_spinach > liquid > relaxation > relaxation ] memory footprint of the relaxation superoperator: 0.00048307 GB [...son > maz_noesy_2_spinach > liquid > relaxation ] SRSK relaxation theory terms have been incorporated. [...son > maz_noesy_2_spinach > liquid > relaxation ] full relaxation superoperator density 1.9228%, nnz 7172452, sparsity 1 [...son > maz_noesy_2_spinach > liquid > relaxation ] dynamic frequency shifts have been ignored. [...son > maz_noesy_2_spinach > liquid > relaxation ] transverse cross-relaxation terms have been ignored. [...son > maz_noesy_2_spinach > liquid > relaxation ] thermalisation method: none, relaxation to unit state [...son > maz_noesy_2_spinach > liquid > relaxation ] final relaxation superoperator density 0.0090561%, nnz(R)=33782, sparsity 1 [...son > maz_noesy_2_spinach > liquid > relaxation ] memory footprint of the relaxation superoperator: 0.00089899 GB [...rison > maz_noesy_2_spinach > liquid > kinetics ] no significant kinetics specified. [...rison > maz_noesy_2_spinach > liquid > kinetics ] kinetics superoperator set to zero. [...ison > maz_noesy_2_spinach > liquid > frqoffset ] applying 500 Hz Larmor frequency offset to 1H... [...> run_comparison > maz_noesy_2_spinach > liquid ] running the pulse sequence... [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 21 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 2901 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 3005 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 3127 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 3201 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 3243 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 3263 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 3275 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 3296 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 9, active space dimension 3310 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 10, active space dimension 3322 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 11, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 12, active space dimension 3332 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 3332 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 3332-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 2 independent subspaces of total dimension 3030 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [ ] evolving subspace 2 of 2... [ ] building the propagator... [propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [propagator ] WARNING - time step exceeds the timescale of system dynamics. [propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 4... [propagator ] CPU squaring step 5... [propagator ] CPU squaring step 5... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [ ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0013917 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.349e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 211 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 241 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 241 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] dim(L)=241, rho stack size 256, 1 substeps in optimal stepping. [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 241, nnz 14710, density 25.3267%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step greatly exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] WARNING - exponentiation tolerance tightened up to eps('double'). [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 65536 and squaring the propagator 16 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 18 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 42806, density 73.7005%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 6... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 7... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 8... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 9... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 10... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 11... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 12... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 13... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 14... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 15... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 16... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 241, nnz 46794, density 80.5668%, sparsity 0 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] recombining subspaces... [...az_noesy_2_spinach > liquid > noesy > evolution ] data retrieval finished. [...az_noesy_2_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...az_noesy_2_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...2_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...2_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0012782 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 3.9944e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 7 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1428 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1500 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1512 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1515 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 19314 to 1515 [...2_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1515-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 1 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 1 independent subspaces of total dimension 1515 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1515 [...az_noesy_2_spinach > liquid > noesy > evolution ] splitting the space... [...az_noesy_2_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...az_noesy_2_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 1515, nnz 10349, density 0.45089%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] WARNING - time step exceeds the timescale of system dynamics. [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 32 and squaring the propagator 5 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 12 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 73243, density 3.1911%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 4... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 5... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 1515, nnz 318523, density 13.8776%, sparsity 1 [...az_noesy_2_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...az_noesy_2_spinach > liquid > noesy > evolution ] propagation finished. liquid/noesy 840.8 s [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, cos window function applied. [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, cos window function applied. [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, all first points divided by 2 [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 1, cos window function applied. [..._comparison > maz_noesy_2_spinach > apodisation ] FID dimension 2, cos window function applied. processing 0.0 s [... run_comparison > maz_noesy_2_spinach > plot_2d ] plotting... plot 0.1 s total 846.2 s