| sc::PsiUHF(3) | MPQC | sc::PsiUHF(3) |
sc::PsiUHF - PsiUHF is a concrete implementation of Psi UHF wave function.
#include <psiwfn.h>
Inherits sc::PsiSCF.
PsiUHF (const Ref< KeyVal > &)
PsiUHF (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.
PsiUHF is a concrete implementation of Psi UHF 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.
Generated automatically by Doxygen for MPQC from the source code.
| Sun Oct 4 2020 | Version 2.3.1 |