Psi4
Namespaces | Macros
contract444_df.cc File Reference

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#include <cstdio>
#include <cmath>
#include "psi4/libqt/qt.h"
#include "psi4/libpsio/psio.h"
#include "psi4/libciomr/libciomr.h"
#include "dpd.h"
#include "psi4/psi4-dec.h"
#include "psi4/libpsi4util/process.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 

Macros

#define PermSym   1
 contract444_df Forms integrals on the fly from density fitted integrals and contracts them against T amplitudes More...
 

Detailed Description

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Macro Definition Documentation

#define PermSym   1

contract444_df Forms integrals on the fly from density fitted integrals and contracts them against T amplitudes

The integral tensor should arrive packed, in the order (a>=b|Q), where Q is the auxilliary basis index

Parameters
BThe DF integral tensor, arranged with the auxilliary index as the fast-running index
tau1_AOThe incoming amplitudes
tau2_AOThe outgoing amplitudes
alphaThe prefactor for the contraction
betaThe prefactor for the existing tensor