occ::qm::PipekMezeySettings Struct Reference

#include <localization.h>

Public Attributes
PopulationKind	population {PopulationKind::Mulliken}
int	max_sweeps {500}
double	tolerance {1e-10}
	converged when a Jacobi sweep raises the functional by less than this

Member Data Documentation

max_sweeps

int occ::qm::PipekMezeySettings::max_sweeps {500}

population

PopulationKind occ::qm::PipekMezeySettings::population {PopulationKind::Mulliken}

tolerance

double occ::qm::PipekMezeySettings::tolerance {1e-10}

converged when a Jacobi sweep raises the functional by less than this

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/qm/localization.h