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Man Pages


Manual Reference Pages  -  SC_PSIHSOSHF (3)

NAME

sc::PsiHSOSHF - PsiHSOSHF is a concrete implementation of Psi ROHF wave function.

CONTENTS

Synopsis

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.

    Additional Inherited Members

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.

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Version 2.3.1 SC::PSIHSOSHF (3) Sun Apr 3 2016

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