Psi4
Namespaces | Functions
detci.cc File Reference

Determinant-based CI program. More...

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

Namespaces

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

Functions

SharedWavefunction psi::detci::detci (SharedWavefunction, Options &)
 

Detailed Description

Determinant-based CI program.

DETCI

DETERMINANT CI Program, incorporating Abelian point-group symmetry

C. David Sherrill Center for Computational Quantum Chemistry University of Georgia August 1994

Updated 3/95 to do frozen core and virtuals correctly Updated 5/95 to do RAS CI's again Updated 2/96 to clean up code and rename DETCI