NAME
sc::PsiHSOSHF -
PsiHSOSHF is a concrete implementation of Psi ROHF wave function.
SYNOPSIS
#include <psiwfn.h>
Inherits sc::PsiSCF.
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.
Author
Generated automatically by Doxygen for MPQC from the source code.