Psi4
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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) |
Computes T3-dependent terms needed in cclambda and ccdensity for (T) contributions to the CCSD(T) energy gradient.
#define EXTERN |