Psi4
Namespaces | Functions

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#include <cstdio>
#include <cstdlib>
#include <string>
#include "psi4/libciomr/libciomr.h"
#include "psi4/libpsio/psio.h"
#include "psi4/libqt/qt.h"
#include "psi4/psifiles.h"
#include "psi4/psi4-dec.h"
#include "Params.h"
#include "MOInfo.h"
#include "Local.h"
#include "globals.h"

Namespaces

 psi
 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.
 
 psi::cceom
 

Functions

void psi::cceom::init_io (void)
 
void psi::cceom::get_moinfo (std::shared_ptr< Wavefunction >)
 
void psi::cceom::cleanup (void)
 
void psi::cceom::exit_io (void)
 
void psi::cceom::diag (void)
 
void psi::cceom::get_params (Options &)
 
void psi::cceom::get_eom_params (std::shared_ptr< Wavefunction >, Options &)
 
void psi::cceom::form_dpd_dp (void)
 
int ** psi::cceom::cacheprep_uhf (int level, int *cachefiles)
 
int ** psi::cceom::cacheprep_rhf (int level, int *cachefiles)
 
void psi::cceom::sort_amps (void)
 
void psi::cceom::hbar_norms (void)
 
void psi::cceom::local_init (void)
 
void psi::cceom::local_done (void)
 
PsiReturnType psi::cceom::cceom (std::shared_ptr< Wavefunction > ref_wfn, Options &options)
 

Detailed Description

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