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.
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.
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