Each guide is a Markdown document whose code runs in the test suite, and a Jupyter notebook generated from it with its outputs and interactive plots. The notebook links open in nbviewer, which renders the Plotly figures interactively; GitHub's own viewer shows the static copies saved with them. The tables are generated from the documentation index.
Read in order for a tour: Hilbert space first, then Liouville space; the solid-state, relaxation and spinning guides each add one ingredient; the pulse-sequence guide puts them together. Coming from Spinach is the reference for what carries over and what differs.
| Guide | Covers | Open |
|---|---|---|
| Hilbert space | liquid-state NMR in Hilbert space (zeeman-hilb): setup, the simulation pipeline, pulse sequences, tolerances, parity with Spinach | guide · notebook |
| Liouville space | the spherical-tensor formalism (sphten-liouv): basis descriptor, state-space restriction (IK-0/1/2), filters, chemical subsystems | guide · notebook |
| Solid state | anisotropic interactions: tensors from eigenvalues and Euler angles, dipolar couplings from coordinates, quadrupolar couplings, the Q components and orientation, crystal and powder contexts, grids, assumption sets | guide · notebook |
| Relaxation | Redfield theory for rotational diffusion, T1/T2 and damping models, retention policies, thermal equilibrium and thermalisation, transient NOE | guide · notebook |
| Magic angle spinning | the Fokker-Planck treatment of sample rotation: rotor phase grid and spectral derivative, the singlerot context, sidebands, rotor echoes | guide · notebook |
| Pulse sequences | writing sequences, apodisation and plot_2d, decoupling and homospoil, COSY, NOESY, HSQC with isotopomer dilution | guide · notebook |
| Coming from Spinach | what carries over from Spinach and what differs: spin systems, basis, operators, Hamiltonians, parameters, calculation modalities, processing | guide · notebook |
The foundation guide covers spin systems, operators, Hamiltonians, energy levels, resonance fields, line shapes and grids; the simulators guide runs every simulator on a nitroxide and a few other systems. Coming from EasySpin is the reference for what carries over, what differs and what is not ported.
| Guide | Covers | Open |
|---|---|---|
EPR spin systems with epreasy | the EasySpin port beside Spynach: spin systems as dicts with EasySpin's fields, sop and stev, ham with the field split, levels, resfields, line shapes and grids | guide · notebook |
EPR simulations with epreasy | pepper for powders and crystals, garlic for solutions, esfit for fitting, salt for ENDOR, curry for magnetometry, chili for slow motion | guide · notebook |
| Coming from EasySpin | what carries over from EasySpin to epreasy, what differs, and what is not ported | guide · notebook |
| Guide | Covers | Open |
|---|---|---|
| Coherence transfer pathways | the separate ctps module: pathway enumeration, phase cycling, gradients, diffusion, non-ideal pulses, cogwheel cycle search, the pathway explorer | guide · notebook |
| Coherence transfer pathways: worked examples | a cookbook for ctps: double-quantum filter, imperfect spin echo, stimulated echo, NOESY-sized enumeration, HSQC, MQMAS nested versus cogwheel, multi-echo trains, cogwheel plus gradients, MRS crushers; then every check of the module's tests as a runnable example | guide · notebook |
| Beyond the port | features with no Spinach counterpart, each with an example: ctps, non-ideal pulses and cogwheel search, interactive figures and figure_png, compare and the parity page, executable documentation | guide · notebook |
user_py/.