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

#include <MOInfo.h>

Public Attributes

int nirreps
 
int nmo
 
int nso
 
int nao
 
int * sopi
 
int * sosym
 
int * orbspi
 
int * clsdpi
 
int * openpi
 
int * uoccpi
 
int * frdocc
 
int * fruocc
 
int nvirt
 
std::vector< std::string > labels
 
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 iter
 
int sym
 
double conv
 
double enuc
 
double escf
 
double eref
 
double ecc
 
double lcc
 
double *** C
 
double *** Ca
 
double *** Cb
 

Member Data Documentation

int* psi::cclambda::MOInfo::aocc_off
int* psi::cclambda::MOInfo::aocc_sym
int* psi::cclambda::MOInfo::aoccpi
int* psi::cclambda::MOInfo::avir_off
int* psi::cclambda::MOInfo::avir_sym
int* psi::cclambda::MOInfo::avirtpi
int* psi::cclambda::MOInfo::bocc_off
int* psi::cclambda::MOInfo::bocc_sym
int* psi::cclambda::MOInfo::boccpi
int* psi::cclambda::MOInfo::bvir_off
int* psi::cclambda::MOInfo::bvir_sym
int* psi::cclambda::MOInfo::bvirtpi
double*** psi::cclambda::MOInfo::C
double*** psi::cclambda::MOInfo::Ca
double*** psi::cclambda::MOInfo::Cb
int* psi::cclambda::MOInfo::clsdpi
double psi::cclambda::MOInfo::conv
double psi::cclambda::MOInfo::ecc
double psi::cclambda::MOInfo::enuc
double psi::cclambda::MOInfo::eref
double psi::cclambda::MOInfo::escf
int* psi::cclambda::MOInfo::frdocc
int* psi::cclambda::MOInfo::fruocc
int psi::cclambda::MOInfo::iter
std::vector<std::string> psi::cclambda::MOInfo::labels
double psi::cclambda::MOInfo::lcc
int psi::cclambda::MOInfo::nao
int psi::cclambda::MOInfo::nirreps
int psi::cclambda::MOInfo::nmo
int psi::cclambda::MOInfo::nso
int psi::cclambda::MOInfo::nvirt
int* psi::cclambda::MOInfo::occ_off
int* psi::cclambda::MOInfo::occ_sym
int* psi::cclambda::MOInfo::occpi
int* psi::cclambda::MOInfo::openpi
int* psi::cclambda::MOInfo::orbspi
int* psi::cclambda::MOInfo::sopi
int* psi::cclambda::MOInfo::sosym
int psi::cclambda::MOInfo::sym
int* psi::cclambda::MOInfo::uoccpi
int* psi::cclambda::MOInfo::vir_off
int* psi::cclambda::MOInfo::vir_sym
int* psi::cclambda::MOInfo::virtpi

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