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.

Additional Inherited Members

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.