summary_basis_opts.m

Prints basis-set option summary for a Spinach system. This is a service function of the Spinach kernel, called from basis.m; it should not be invoked directly.

The formalism held in spin_system.bas.formalism is reported first: 'zeeman-wavef' as the Zeeman basis set in the wavefunction formalism, 'zeeman-hilb' and 'zeeman-liouv' as the Zeeman basis set in the Hilbert and Liouville space matrix formalisms, and 'sphten-liouv' as the spherical tensor basis set in the Liouville space matrix formalism; anything else raises an error. In the sphten-liouv case the approximation held in spin_system.bas.approximation is reported as well: IK-0 with the correlation order in spin_system.bas.level, IK-1 with the correlation order in spin_system.bas.level between directly coupled spins, IK-2 with spin correlations involving all nearest neighbours of each spin on the coupling graph, each together with the spatial correlation order in spin_system.bas.space_level between all spins within spin_system.tols.prox_cutoff Angstrom of each other, IK-DNP with the three-element level vector for inter-electron, electron-nuclear, and inter-nuclear correlations, and 'none' as a complete basis set on all spins. An unrecognised approximation raises an error.

Syntax

    summary_basis_opts(spin_system)

Parameters

    spin_system  - Spinach spin system description object

Outputs

    this function prints to the console or to the user-specified
    output via report.m function

See also

summary_basis.m, basis.m, Basis set specification, report.m, Kernel utilities

Version 2.13, authors: Ilya Kuprov