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

#include <MOInfo.h>

Public Attributes

int nirreps
 
int nmo
 
int nso
 
int iopen
 
int * sopi
 
int * sosym
 
int * orbspi
 
int * clsdpi
 
int * openpi
 
int * uoccpi
 
int * frdocc
 
int * fruocc
 
int nvirt
 
char ** irr_labs
 
char ** irr_labs_lowercase
 
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 iter
 
int sym
 
int * occ_off
 
int * aocc_off
 
int * bocc_off
 
int * vir_off
 
int * avir_off
 
int * bvir_off
 
double conv
 
double enuc
 
double escf
 
double eref
 
double ecc
 
double t1diag
 
double d1diag
 
double *** C
 
double *** Ca
 
double *** Cb
 

Member Data Documentation

int* psi::cceom::MOInfo::aocc_off
int* psi::cceom::MOInfo::aocc_sym
int* psi::cceom::MOInfo::aoccpi
int* psi::cceom::MOInfo::avir_off
int* psi::cceom::MOInfo::avir_sym
int* psi::cceom::MOInfo::avirtpi
int* psi::cceom::MOInfo::bocc_off
int* psi::cceom::MOInfo::bocc_sym
int* psi::cceom::MOInfo::boccpi
int* psi::cceom::MOInfo::bvir_off
int* psi::cceom::MOInfo::bvir_sym
int* psi::cceom::MOInfo::bvirtpi
double*** psi::cceom::MOInfo::C
double*** psi::cceom::MOInfo::Ca
double*** psi::cceom::MOInfo::Cb
int* psi::cceom::MOInfo::clsdpi
double psi::cceom::MOInfo::conv
double psi::cceom::MOInfo::d1diag
double psi::cceom::MOInfo::ecc
double psi::cceom::MOInfo::enuc
double psi::cceom::MOInfo::eref
double psi::cceom::MOInfo::escf
int* psi::cceom::MOInfo::frdocc
int* psi::cceom::MOInfo::fruocc
int psi::cceom::MOInfo::iopen
char** psi::cceom::MOInfo::irr_labs
char** psi::cceom::MOInfo::irr_labs_lowercase
int psi::cceom::MOInfo::iter
int psi::cceom::MOInfo::nirreps
int psi::cceom::MOInfo::nmo
int psi::cceom::MOInfo::nso
int psi::cceom::MOInfo::nvirt
int* psi::cceom::MOInfo::occ_off
int* psi::cceom::MOInfo::occ_sym
int* psi::cceom::MOInfo::occpi
int* psi::cceom::MOInfo::openpi
int* psi::cceom::MOInfo::orbspi
int* psi::cceom::MOInfo::sopi
int* psi::cceom::MOInfo::sosym
int psi::cceom::MOInfo::sym
double psi::cceom::MOInfo::t1diag
int* psi::cceom::MOInfo::uoccpi
int* psi::cceom::MOInfo::vir_off
int* psi::cceom::MOInfo::vir_sym
int* psi::cceom::MOInfo::virtpi

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