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Public Attributes | List of all members
occ::qm::MP2::Results Struct Reference

#include <mp2.h>

Collaboration diagram for occ::qm::MP2::Results:
[legend]

Public Attributes

double same_spin_correlation = 0.0
 
double opposite_spin_correlation = 0.0
 
double total_correlation = 0.0
 
double scs_mp2_correlation = 0.0
 
std::map< std::pair< size_t, size_t >, double > pair_energies
 
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_used = 0.0
 
double e_max_used = 0.0
 

Member Data Documentation

◆ e_max_used

double occ::qm::MP2::Results::e_max_used = 0.0

◆ e_min_used

double occ::qm::MP2::Results::e_min_used = 0.0

◆ n_active_occ

size_t occ::qm::MP2::Results::n_active_occ = 0

◆ n_active_virt

size_t occ::qm::MP2::Results::n_active_virt = 0

◆ n_frozen_core

size_t occ::qm::MP2::Results::n_frozen_core = 0

◆ n_total_occ

size_t occ::qm::MP2::Results::n_total_occ = 0

◆ n_total_virt

size_t occ::qm::MP2::Results::n_total_virt = 0

◆ opposite_spin_correlation

double occ::qm::MP2::Results::opposite_spin_correlation = 0.0

◆ pair_energies

std::map<std::pair<size_t,size_t>, double> occ::qm::MP2::Results::pair_energies

◆ same_spin_correlation

double occ::qm::MP2::Results::same_spin_correlation = 0.0

◆ scs_mp2_correlation

double occ::qm::MP2::Results::scs_mp2_correlation = 0.0

◆ total_correlation

double occ::qm::MP2::Results::total_correlation = 0.0
The documentation for this struct was generated from the following file: