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/libpsi4util/PsiOutStream.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