sc::PsiSCF(3)

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 }

  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'.

Detailed Description

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

Member Function Documentation

  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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