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sc::PsiCLHF Class Reference

PsiCLHF is a concrete implementation of Psi RHF wave function. More...

#include <psiwfn.h>

Inheritance diagram for sc::PsiCLHF:

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Collaboration diagram for sc::PsiCLHF:

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List of all members.

Public Methods

 PsiCLHF (const Ref< KeyVal > &)
 PsiCLHF (StateIn &)
 ~PsiCLHF ()
void write_basic_input (int conv)
 Writes out Psi input file entries specific to this PsiWavefunction. More...

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 Methods

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.


The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:16:05 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14.