sc_PsiSCF3
Psiscf is an abstract base for all psi scf wave functions.
Usage
#include <psiwfn.h>
Inherits sc::PsiWavefunction.
Inherited by sc::PsiCLHF, sc::PsiHSOSHF, and sc::PsiUHF.
Public Types
enum RefType { rhf, hsoshf, uhf }
Public Member Functions
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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.