sc::psiclhf(3)

NAME

sc::PsiCLHF - PsiCLHF is a concrete implementation of Psi RHF wave function.

SYNOPSIS

#include <psiwfn.h>
Inherits sc::PsiSCF.
Public Member Functions
PsiCLHF (const Ref< KeyVal > &)
PsiCLHF (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

PsiCLHF is a concrete implementation of Psi RHF wave function.

Member Function Documentation

void sc::PsiCLHF::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

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Version 2.3.1 15 Mar 2008 sc::PsiCLHF(3)