sc::PsiUHF Class Reference

PsiUHF is a concrete implementation of Psi UHF wave function. More...

#include <psiwfn.h>

Inheritance diagram for sc::PsiUHF:

[legend]Collaboration diagram for sc::PsiUHF:

[legend]List of all members.

Public Member Functions
	PsiUHF (const Ref< KeyVal > &)
	PsiUHF (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.

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Detailed Description

PsiUHF is a concrete implementation of Psi UHF wave function.

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Member Function Documentation

void sc::PsiUHF::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.

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The documentation for this class was generated from the following file:

• psiwfn.h

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