sc_PsiSCF man page

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.

Additional Inherited Members

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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Info

Fri May 6 2016 Version 2.3.1 MPQC