sc::PsiHSOSHF Class Reference

PsiHSOSHF is a concrete implementation of Psi ROHF wave function. More...

#include <psiwfn.h>

Inheritance diagram for sc::PsiHSOSHF:

sc::PsiSCF 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

 PsiHSOSHF (const Ref< KeyVal > &)
 PsiHSOSHF (StateIn &)
void write_basic_input (int conv)
 Writes out Psi input file entries specific to this PsiWavefunction.
int spin_polarized ()
 Return 1 if the alpha density is not equal to the beta density.
int gradient_implemented () const
PsiSCF::RefType reftype () const
 Returns the PsiSCF::RefType of this particular Psi SCF wave function.

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

PsiHSOSHF is a concrete implementation of Psi ROHF wave function.


Member Function Documentation

void sc::PsiHSOSHF::write_basic_input ( int  conv  )  [virtual]

Writes out Psi input file entries specific to this PsiWavefunction.

The input file is assumed to have been opened.

Reimplemented from sc::PsiWavefunction.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:54 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.