Psi4
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T3_grad_RHF.cc File Reference

Computes T3-dependent terms needed in cclambda and ccdensity for (T) contributions to the CCSD(T) energy gradient. More...

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "psi4/libciomr/libciomr.h"
#include "psi4/libdpd/dpd.h"
#include "psi4/libqt/qt.h"
#include "MOInfo.h"
#include "Params.h"
#include "globals.h"
#include "psi4/libparallel/ParallelPrinter.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 
 psi::cctriples
 

Macros

#define EXTERN
 

Functions

void psi::cctriples::T3_grad_RHF (void)
 

Detailed Description

Computes T3-dependent terms needed in cclambda and ccdensity for (T) contributions to the CCSD(T) energy gradient.

Macro Definition Documentation

#define EXTERN