Psi4
Namespaces | Macros | Functions

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

Namespaces

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

Macros

#define EXTERN
 

Functions

void psi::cceom::sigmaSS (int index, int irrep)
 
void psi::cceom::cc2_sigmaSS (int i, int C_irr)
 
void psi::cceom::precondition_SS (dpdfile2 *RIA, dpdfile2 *Ria, double eval)
 
void psi::cceom::schmidt_add_SS (dpdfile2 *RIA, dpdfile2 *Ria, int C_irr, int *numCs)
 
void psi::cceom::precondition_SS_RHF (dpdfile2 *RIA, double eval)
 
void psi::cceom::schmidt_add_SS_RHF (dpdfile2 *RIA, int C_irr, int *numCs)
 
void psi::cceom::restart_SS (double **alpha, int L, int num, int C_irr)
 
void psi::cceom::dgeev_eom (int L, double **G, double *lambda, double **alpha)
 
double psi::cceom::norm_C1 (dpdfile2 *C1A, dpdfile2 *C1B)
 
double psi::cceom::norm_C1_rhf (dpdfile2 *C1A)
 
void psi::cceom::scm_C1 (dpdfile2 *CME, dpdfile2 *Cme, double a)
 
void psi::cceom::diagSS (int irrep)
 

Detailed Description

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Macro Definition Documentation

#define EXTERN