Enter your search terms GNU-Darwin Web Submit search form

sc::PsiHSOSHF Class Reference PsiHSOSHF is a concrete implementation of Psi ROHF wave function. More... #include <psiwfn.h> Inheritance diagram for sc::PsiHSOSHF: [legend]Collaboration diagram for sc::PsiHSOSHF: [legend]List of all members. Public Methods   PsiHSOSHF (const Ref< KeyVal > &)   PsiHSOSHF (StateIn &)   ~PsiHSOSHF () void  write_basic_input (int conv)   Writes out Psi input file entries specific to this PsiWavefunction. More... 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. Protected Methods void  write_input (int conv)   Prepares a complete Psi input file. The input file is assumed to have been opened. Detailed Description PsiHSOSHF is a concrete implementation of Psi ROHF wave function. Member Function Documentation void sc::PsiHSOSHF::write_basic_input (  int    conv )  [virtual]   Writes out Psi input file entries specific to this PsiWavefunction. The input file is assumed to have been opened. Reimplemented from sc::PsiWavefunction. The documentation for this class was generated from the following file: psiwfn.h