Psi4
Public Attributes | List of all members
psi::ccdensity::MOInfo Struct Reference

#include <MOInfo.h>

Public Attributes

int nirreps
 
int nmo
 
int nso
 
int nactive
 
int * orbspi
 
int * clsdpi
 
int * openpi
 
int * uoccpi
 
int * frdocc
 
int * fruocc
 
std::vector< std::string > labels
 
int nfzc
 
int nfzv
 
int nclsd
 
int nopen
 
int nuocc
 
int * occ_sym
 
int * aocc_sym
 
int * bocc_sym
 
int * vir_sym
 
int * avir_sym
 
int * bvir_sym
 
int sym
 
int * occpi
 
int * aoccpi
 
int * boccpi
 
int * virtpi
 
int * avirtpi
 
int * bvirtpi
 
int * occ_off
 
int * aocc_off
 
int * bocc_off
 
int * vir_off
 
int * avir_off
 
int * bvir_off
 
int * cc_occ
 
int * cc_aocc
 
int * cc_bocc
 
int * cc_vir
 
int * cc_avir
 
int * cc_bvir
 
int * qt_occ
 
int * qt_aocc
 
int * qt_bocc
 
int * qt_vir
 
int * qt_avir
 
int * qt_bvir
 
double enuc
 
double escf
 
double eref
 
double ecc
 
double et
 
double ** opdm
 
double ** opdm_a
 
double ** opdm_b
 
double ** I
 
double ** I_a
 
double ** I_b
 
double ** ltd
 
double ** ltd_a
 
double ** ltd_b
 
double ** rtd
 
double ** rtd_a
 
double ** rtd_b
 
int * pitzer2qt
 
int * qt2pitzer
 
double ** scf_qt
 
double *** L
 
double *** nabla
 
double *** dip
 

Member Data Documentation

int* psi::ccdensity::MOInfo::aocc_off
int* psi::ccdensity::MOInfo::aocc_sym
int* psi::ccdensity::MOInfo::aoccpi
int* psi::ccdensity::MOInfo::avir_off
int* psi::ccdensity::MOInfo::avir_sym
int* psi::ccdensity::MOInfo::avirtpi
int* psi::ccdensity::MOInfo::bocc_off
int* psi::ccdensity::MOInfo::bocc_sym
int* psi::ccdensity::MOInfo::boccpi
int* psi::ccdensity::MOInfo::bvir_off
int* psi::ccdensity::MOInfo::bvir_sym
int* psi::ccdensity::MOInfo::bvirtpi
int* psi::ccdensity::MOInfo::cc_aocc
int* psi::ccdensity::MOInfo::cc_avir
int* psi::ccdensity::MOInfo::cc_bocc
int* psi::ccdensity::MOInfo::cc_bvir
int* psi::ccdensity::MOInfo::cc_occ
int* psi::ccdensity::MOInfo::cc_vir
int* psi::ccdensity::MOInfo::clsdpi
double*** psi::ccdensity::MOInfo::dip
double psi::ccdensity::MOInfo::ecc
double psi::ccdensity::MOInfo::enuc
double psi::ccdensity::MOInfo::eref
double psi::ccdensity::MOInfo::escf
double psi::ccdensity::MOInfo::et
int* psi::ccdensity::MOInfo::frdocc
int* psi::ccdensity::MOInfo::fruocc
double** psi::ccdensity::MOInfo::I
double** psi::ccdensity::MOInfo::I_a
double** psi::ccdensity::MOInfo::I_b
double*** psi::ccdensity::MOInfo::L
std::vector<std::string> psi::ccdensity::MOInfo::labels
double** psi::ccdensity::MOInfo::ltd
double** psi::ccdensity::MOInfo::ltd_a
double** psi::ccdensity::MOInfo::ltd_b
double*** psi::ccdensity::MOInfo::nabla
int psi::ccdensity::MOInfo::nactive
int psi::ccdensity::MOInfo::nclsd
int psi::ccdensity::MOInfo::nfzc
int psi::ccdensity::MOInfo::nfzv
int psi::ccdensity::MOInfo::nirreps
int psi::ccdensity::MOInfo::nmo
int psi::ccdensity::MOInfo::nopen
int psi::ccdensity::MOInfo::nso
int psi::ccdensity::MOInfo::nuocc
int* psi::ccdensity::MOInfo::occ_off
int* psi::ccdensity::MOInfo::occ_sym
int* psi::ccdensity::MOInfo::occpi
double** psi::ccdensity::MOInfo::opdm
double** psi::ccdensity::MOInfo::opdm_a
double** psi::ccdensity::MOInfo::opdm_b
int* psi::ccdensity::MOInfo::openpi
int* psi::ccdensity::MOInfo::orbspi
int* psi::ccdensity::MOInfo::pitzer2qt
int* psi::ccdensity::MOInfo::qt2pitzer
int* psi::ccdensity::MOInfo::qt_aocc
int* psi::ccdensity::MOInfo::qt_avir
int* psi::ccdensity::MOInfo::qt_bocc
int* psi::ccdensity::MOInfo::qt_bvir
int* psi::ccdensity::MOInfo::qt_occ
int* psi::ccdensity::MOInfo::qt_vir
double** psi::ccdensity::MOInfo::rtd
double** psi::ccdensity::MOInfo::rtd_a
double** psi::ccdensity::MOInfo::rtd_b
double** psi::ccdensity::MOInfo::scf_qt
int psi::ccdensity::MOInfo::sym
int* psi::ccdensity::MOInfo::uoccpi
int* psi::ccdensity::MOInfo::vir_off
int* psi::ccdensity::MOInfo::vir_sym
int* psi::ccdensity::MOInfo::virtpi

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