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sc::PsiHSOSHF(3)                     MPQC                     sc::PsiHSOSHF(3)

NAME

sc::PsiHSOSHF - PsiHSOSHF is a concrete implementation of Psi ROHF wave function.

SYNOPSIS

#include <psiwfn.h> Inherits sc::PsiSCF. Public Member Functions PsiHSOSHF (const Ref< KeyVal > &) PsiHSOSHF (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. Additional Inherited Members Detailed Description PsiHSOSHF is a concrete implementation of Psi ROHF wave function. Member Function Documentation void sc::PsiHSOSHF::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. Version 2.3.1 Fri Feb 19 2016 sc::PsiHSOSHF(3)

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