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

#include <MOInfo.h>

Public Attributes

int nirreps
int nmo
int nso
int nao
int noei
int ntri
int noei_ao
int nactive
int nfzc
int * sopi
int * orbspi
int * clsdpi
int * openpi
int * uoccpi
int * frdocc
int * fruocc
int nvirt
int * actpi
std::vector< std::string > labels
int * pitzer2qt
int * qt2pitzer
int * occpi
int * aoccpi
int * boccpi
int * virtpi
int * avirtpi
int * bvirtpi
int * occ_sym
int * aocc_sym
int * bocc_sym
int * vir_sym
int * avir_sym
int * bvir_sym
int * occ_off
int * aocc_off
int * bocc_off
int * vir_off
int * avir_off
int * bvir_off
int * qt_occ
int * qt_aocc
int * qt_bocc
int * qt_vir
int * qt_avir
int * qt_bvir
int * cc_occ
int * cc_aocc
int * cc_bocc
int * cc_vir
int * cc_avir
int * cc_bvir
double ** scf
double ** scf_alpha
double ** scf_beta
double *** MU
int * mu_irreps
double *** L
double *** Lcc
int * l_irreps
double *** P
double *** Pcc
double **** Q
int natom
double * zvals
double *** C

Member Data Documentation

int* psi::ccresponse::MOInfo::actpi
int* psi::ccresponse::MOInfo::aocc_off
int* psi::ccresponse::MOInfo::aocc_sym
int* psi::ccresponse::MOInfo::aoccpi
int* psi::ccresponse::MOInfo::avir_off
int* psi::ccresponse::MOInfo::avir_sym
int* psi::ccresponse::MOInfo::avirtpi
int* psi::ccresponse::MOInfo::bocc_off
int* psi::ccresponse::MOInfo::bocc_sym
int* psi::ccresponse::MOInfo::boccpi
int* psi::ccresponse::MOInfo::bvir_off
int* psi::ccresponse::MOInfo::bvir_sym
int* psi::ccresponse::MOInfo::bvirtpi
double*** psi::ccresponse::MOInfo::C
int* psi::ccresponse::MOInfo::cc_aocc
int* psi::ccresponse::MOInfo::cc_avir
int* psi::ccresponse::MOInfo::cc_bocc
int* psi::ccresponse::MOInfo::cc_bvir
int* psi::ccresponse::MOInfo::cc_occ
int* psi::ccresponse::MOInfo::cc_vir
int* psi::ccresponse::MOInfo::clsdpi
int* psi::ccresponse::MOInfo::frdocc
int* psi::ccresponse::MOInfo::fruocc
double*** psi::ccresponse::MOInfo::L
int* psi::ccresponse::MOInfo::l_irreps
std::vector<std::string> psi::ccresponse::MOInfo::labels
double*** psi::ccresponse::MOInfo::Lcc
double*** psi::ccresponse::MOInfo::MU
int* psi::ccresponse::MOInfo::mu_irreps
int psi::ccresponse::MOInfo::nactive
int psi::ccresponse::MOInfo::nao
int psi::ccresponse::MOInfo::natom
int psi::ccresponse::MOInfo::nfzc
int psi::ccresponse::MOInfo::nirreps
int psi::ccresponse::MOInfo::nmo
int psi::ccresponse::MOInfo::noei
int psi::ccresponse::MOInfo::noei_ao
int psi::ccresponse::MOInfo::nso
int psi::ccresponse::MOInfo::ntri
int psi::ccresponse::MOInfo::nvirt
int* psi::ccresponse::MOInfo::occ_off
int* psi::ccresponse::MOInfo::occ_sym
int* psi::ccresponse::MOInfo::occpi
int* psi::ccresponse::MOInfo::openpi
int* psi::ccresponse::MOInfo::orbspi
double*** psi::ccresponse::MOInfo::P
double*** psi::ccresponse::MOInfo::Pcc
int* psi::ccresponse::MOInfo::pitzer2qt
double**** psi::ccresponse::MOInfo::Q
int* psi::ccresponse::MOInfo::qt2pitzer
int* psi::ccresponse::MOInfo::qt_aocc
int* psi::ccresponse::MOInfo::qt_avir
int* psi::ccresponse::MOInfo::qt_bocc
int* psi::ccresponse::MOInfo::qt_bvir
int* psi::ccresponse::MOInfo::qt_occ
int* psi::ccresponse::MOInfo::qt_vir
double** psi::ccresponse::MOInfo::scf
double** psi::ccresponse::MOInfo::scf_alpha
double** psi::ccresponse::MOInfo::scf_beta
int* psi::ccresponse::MOInfo::sopi
int* psi::ccresponse::MOInfo::uoccpi
int* psi::ccresponse::MOInfo::vir_off
int* psi::ccresponse::MOInfo::vir_sym
int* psi::ccresponse::MOInfo::virtpi
double* psi::ccresponse::MOInfo::zvals

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