PsiCCSD is a concrete implementation of Psi CCSD wave function. More...
#include <psiwfn.h>
Public Member Functions | |
PsiCCSD (const Ref< KeyVal > &) | |
PsiCCSD (StateIn &) | |
void | save_data_state (StateOut &) |
int | spin_polarized () |
Return 1 if the alpha density is not equal to the beta density. | |
int | gradient_implemented () const |
Protected Member Functions | |
void | write_input (int conv) |
Prepares a complete Psi input file. The input file is assumed to have been opened. |
PsiCCSD is a concrete implementation of Psi CCSD wave function.