Public Member Functions | Protected Member Functions

sc::PsiCCSD_T Class Reference

PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function. More...

#include <psiwfn.h>

Inheritance diagram for sc::PsiCCSD_T:
sc::PsiWavefunction sc::Wavefunction sc::MolecularEnergy sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity

List of all members.

Public Member Functions

 PsiCCSD_T (const Ref< KeyVal > &)
 PsiCCSD_T (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_T is a concrete implementation of Psi CCSD(T) wave function.


The documentation for this class was generated from the following file:

Generated at Tue Jan 25 2011 11:12:44 for MPQC 2.3.1 using the documentation package Doxygen 1.7.1.