occ::io::ElectronInput Struct Reference

#include <occ_input.h>

Public Attributes
int	multiplicity {1}
double	charge {0.0}
SpinorbitalKind	spinorbital_kind {SpinorbitalKind::Restricted}
double	spin_polarization {1.0}
double	electronic_temperature {300.0}

Member Data Documentation

charge

double occ::io::ElectronInput::charge {0.0}

electronic_temperature

double occ::io::ElectronInput::electronic_temperature {300.0}

multiplicity

int occ::io::ElectronInput::multiplicity {1}

spin_polarization

double occ::io::ElectronInput::spin_polarization {1.0}

spinorbital_kind

SpinorbitalKind occ::io::ElectronInput::spinorbital_kind {SpinorbitalKind::Restricted}

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

• /home/runner/work/occ/occ/include/occ/io/occ_input.h