API documentation for hqs_nmr

HQS NMR is a python package providing tools to efficiently and accurately predict NMR Spectra.

`hqs_nmr`	NMR package.
`hqs_nmr.calculate`	The main NMR runtime routines.
`hqs_nmr.conversion`	Collection of functions for conversion between units.
`hqs_nmr.datatypes`	Data types to deal with calculation results.
`hqs_nmr.hamiltonian_tools`	Tools to obtain and manipulate a NMR Hamiltonian.
`hqs_nmr.spin_dependent_clustering`	Functions that can identify for a particular spin the most strongly coupled spins.
`hqs_nmr.postprocessing`	NMR spectra postprocessing routines.
`hqs_nmr.utils`	Helper routines for nmr spectra calculations.
`hqs_nmr.solver.solver`	Solvers module.
`hqs_nmr.solver.implementations.nmr_solver`	Different solvers to evaluate individual spectral contributions of a NMR Spin Hamiltonian.
`hqs_nmr.solver.implementations.reference_solver`	A simple direct solver as a reference implementation.
`hqs_nmr.solver.implementations.Sz_conserved_routines`	Routines to calculate a spectrum, if only the Sz conservation is taken into account.
`hqs_nmr.solver.implementations.local_SU2_conserved_routines`	Methods to calculate a spectrum taking into account local SU2 symmetries and Sz conservation.
`hqs_nmr.solver.implementations.system_tools`	A collection of functions related to constructing the system.

Indices and tables