Psi4
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
 
char ** 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
char** 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: