PsiCCSD is a concrete implementation of Psi CCSD wave function. More...
#include <psiwfn.h>
Inheritance diagram for sc::PsiCCSD:
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. | |
Detailed Description
PsiCCSD is a concrete implementation of Psi CCSD wave function.
The documentation for this class was generated from the following file:
Generated at Mon Mar 7 2011 15:01:20 for MPQC 2.3.1 using the documentation package Doxygen 1.7.1.