Man Linux: Main Page and Category List

NAME

       sc::PsiUHF -

       PsiUHF is a concrete implementation of Psi UHF wave function.

SYNOPSIS

       #include <psiwfn.h>

       Inherits sc::PsiSCF.

   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.

Detailed Description

       PsiUHF is a concrete implementation of Psi UHF wave function.

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.

Author

       Generated automatically by Doxygen for MPQC from the source code.