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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:

sc::PsiSCF sc::PsiWavefunction sc::Wavefunction sc::MolecularEnergy sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity List of all members.

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.


The documentation for this class was generated from the following file:
Generated at Sat Nov 1 15:17:09 2003 for MPQC 2.1.5 using the documentation package Doxygen 1.3.2.