Psi4
Namespaces
compute_cc.cc File Reference

Arbitrary-order coupled-cluster code. More...

#include <cstdio>
#include <cstdlib>
#include "psi4/psi4-dec.h"
#include "psi4/detci/structs.h"
#include "psi4/detci/ciwave.h"

Namespaces

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

Detailed Description

Arbitrary-order coupled-cluster code.

C. David Sherrill Center for Computational Molecular Science and Technology Georgia Institute of Technology March 2005

Note: I think I need onel ints as g for formation of sigma in non-FCI cases, but make sure any CC parts don't try to get h and actually get g instead...