sc::PsiCLHF
PsiCLHF is a concrete implementation of Psi RHF wave function.
- Provided by: libsc-doc (Version: 2.3.1-21)
- Source: mpqc
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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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