occ::qm::MP2OrbitalSpec Struct Reference

#include <mp2_components.h>

Collaboration diagram for occ::qm::MP2OrbitalSpec:

Public Attributes
size_t	n_frozen_core = 0
size_t	n_active_occ = 0
size_t	n_active_virt = 0
size_t	n_total_occ = 0
size_t	n_total_virt = 0
double	e_min = 0.0
double	e_max = 0.0

Member Data Documentation

e_max

double occ::qm::MP2OrbitalSpec::e_max = 0.0

e_min

double occ::qm::MP2OrbitalSpec::e_min = 0.0

n_active_occ

size_t occ::qm::MP2OrbitalSpec::n_active_occ = 0

n_active_virt

size_t occ::qm::MP2OrbitalSpec::n_active_virt = 0

n_frozen_core

size_t occ::qm::MP2OrbitalSpec::n_frozen_core = 0

n_total_occ

size_t occ::qm::MP2OrbitalSpec::n_total_occ = 0

n_total_virt

size_t occ::qm::MP2OrbitalSpec::n_total_virt = 0

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

• /home/runner/work/occ/occ/include/occ/qm/mp2_components.h