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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