NAME

sc::PsiSCF - PsiSCF is an abstract base for all Psi SCF wave functions.

SYNOPSIS

#include <psiwfn.h>

Inherits sc::PsiWavefunction.

Inherited by sc::PsiCLHF, sc::PsiHSOSHF, and sc::PsiUHF.

Public Types

enum RefType { rhf, hsoshf, uhf }

PsiSCF (const Ref< KeyVal > &)
PsiSCF (StateIn &)
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. virtual PsiSCF::RefType reftype () const =0
Returns the PsiSCF::RefType of this particular Psi SCF wave function.

Additional Inherited Members

Detailed Description

PsiSCF is an abstract base for all Psi SCF wave functions.

Member Function Documentation

virtual PsiSCF::RefType sc::PsiSCF::reftype () const [pure virtual]

Returns the PsiSCF::RefType of this particular Psi SCF wave function.

Implemented in sc::PsiCLHF, sc::PsiHSOSHF, and sc::PsiUHF.

void sc::PsiSCF::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from sc::PsiWavefunction.

Author

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