qstack.spahm.rho.parser

Command-line argument parser for SPAHM(a,b) main functions.

class qstack.spahm.rho.parser.SpahmParser(unified=False, atom=False, bond=False, **kwargs)[source]

Bases: FlexParser

Custom argument parser for SPAHM command-line tools.

Provides pre-configured argument sets for atomic and bond SPAHM computations.

Parameters:

  • unified (bool) – Enable unified file/list interface. Defaults to False.

  • atom (bool) – Add atom-specific arguments (auxbasis, model). Defaults to False.

  • bond (bool) – Add bond-specific arguments (cutoff, bpath, etc.). Defaults to False.

  • **kwargs – Additional arguments passed to ArgumentParser.