| sc::PsiHSOSHF(3) | MPQC | sc::PsiHSOSHF(3) |
sc::PsiHSOSHF - PsiHSOSHF is a concrete implementation of Psi ROHF wave function.
#include <psiwfn.h>
Inherits sc::PsiSCF.
PsiHSOSHF (const Ref< KeyVal > &)
PsiHSOSHF (StateIn &)
void write_basic_input (int conv)
Writes out Psi input file entries specific to this PsiWavefunction. int
spin_polarized ()
Return 1 if the alpha density is not equal to the beta density. int
gradient_implemented () const
PsiSCF::RefType reftype () const
Returns the PsiSCF::RefType of this particular Psi SCF wave function.
void write_input (int conv)
Prepares a complete Psi input file. The input file is assumed to have been
opened.
PsiHSOSHF is a concrete implementation of Psi ROHF wave function.
Writes out Psi input file entries specific to this PsiWavefunction. The input file is assumed to have been opened.
Reimplemented from sc::PsiWavefunction.
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| Sun Oct 4 2020 | Version 2.3.1 |