Psi4
Namespaces | Functions

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#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <cmath>
#include "psi4/libciomr/libciomr.h"
#include "psi4/libpsio/psio.h"
#include "psi4/libpsio/psio.hpp"
#include "psi4/libqt/qt.h"
#include "psi4/psi4-dec.h"
#include "psi4/libmints/wavefunction.h"
#include "MOInfo.h"
#include "Params.h"
#include "Local.h"
#include "globals.h"
#include "cclambda.h"

Namespaces

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

Functions

void psi::cclambda::init_io (void)
 
void psi::cclambda::title (void)
 
void psi::cclambda::get_moinfo (std::shared_ptr< Wavefunction > wfn)
 
void psi::cclambda::get_params (Options &options)
 
void psi::cclambda::cleanup (void)
 
void psi::cclambda::init_amps (struct L_Params L_params)
 
double psi::cclambda::pseudoenergy (struct L_Params L_params)
 
void psi::cclambda::exit_io (void)
 
void psi::cclambda::G_build (int L_irr)
 
void psi::cclambda::L1_build (struct L_Params L_params)
 
void psi::cclambda::L2_build (struct L_Params L_params)
 
void psi::cclambda::sort_amps (int L_irr)
 
void psi::cclambda::Lsave (int L_irr)
 
void psi::cclambda::Lnorm (struct L_Params L_params)
 
void psi::cclambda::Lmag (void)
 
void psi::cclambda::update (void)
 
int psi::cclambda::converged (int L_irr)
 
void psi::cclambda::diis (int iter, int L_irr)
 
int ** psi::cclambda::cacheprep_rhf (int level, int *cachefiles)
 
int ** psi::cclambda::cacheprep_uhf (int level, int *cachefiles)
 
void psi::cclambda::cachedone_rhf (int **cachelist)
 
void psi::cclambda::cachedone_uhf (int **cachelist)
 
void psi::cclambda::denom (struct L_Params)
 
void psi::cclambda::overlap (int L_irr)
 
void psi::cclambda::overlap_LAMPS (struct L_Params L_params)
 
void psi::cclambda::Lsave_index (struct L_Params L_params)
 
void psi::cclambda::Lamp_write (struct L_Params L_params)
 
void psi::cclambda::check_ortho (struct L_Params *pL_params)
 
void psi::cclambda::projections (struct L_Params *pL_params)
 
void psi::cclambda::L_zero (int irrep)
 
void psi::cclambda::c_clean (dpdfile2 *CME, dpdfile2 *Cme, dpdbuf4 *CMNEF, dpdbuf4 *Cmnef, dpdbuf4 *CMnEf)
 
void psi::cclambda::L_clean (struct L_Params pL_params)
 
void psi::cclambda::zeta_norm (struct L_Params pL_params)
 
void psi::cclambda::spinad_amps (void)
 
void psi::cclambda::status (const char *, std::string)
 
void psi::cclambda::hbar_extra (void)
 
void psi::cclambda::ortho_Rs (struct L_Params *pL_params, int current_L)
 
void psi::cclambda::cc2_L1_build (struct L_Params L_params)
 
void psi::cclambda::cc2_L2_build (struct L_Params L_params)
 
void psi::cclambda::cc2_Gai_build (int L_irr)
 
void psi::cclambda::cc2_hbar_extra (void)
 
void psi::cclambda::cc3_t3z (void)
 
void psi::cclambda::cc3_t3x (void)
 
void psi::cclambda::cc3_l3l2 (void)
 
void psi::cclambda::cc3_l3l1 (void)
 
void psi::cclambda::local_init (void)
 
void psi::cclambda::local_done (void)
 
PsiReturnType psi::cctriples::cctriples (std::shared_ptr< Wavefunction > reference_wavefunction, Options &options)
 

Detailed Description

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