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sc::PsiCLHF(3) MPQC sc::PsiCLHF(3)

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

#include <psiwfn.h>

Inherits sc::PsiSCF.


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.


void write_input (int conv)
Prepares a complete Psi input file. The input file is assumed to have been opened.

PsiCLHF is a concrete implementation of Psi RHF wave function.

Reimplemented from sc::Function.

Returns the PsiSCF::RefType of this particular Psi SCF wave function.

Implements sc::PsiSCF.

Return 1 if the alpha density is not equal to the beta density.

Implements sc::Wavefunction.

Writes out Psi input file entries specific to this PsiWavefunction. The input file is assumed to have been opened.

Reimplemented from sc::PsiWavefunction.

Prepares a complete Psi input file. The input file is assumed to have been opened.

Implements sc::PsiWavefunction.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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