logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

sc::PsiHSOSHF - PsiHSOSHF is a concrete implementation of Psi ROHF wave function.

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                                 sc::PsiHSOSHF(3)

Detailed Description

PsiHSOSHF is a concrete implementation of Psi ROHF wave function.

Member Function Documentation

voidsc::PsiHSOSHF::write_basic_input(intconv)[virtual]
       Writes out Psi input file entries specific to this PsiWavefunction. The input file is assumed to have
       been opened.

       Reimplemented from sc::PsiWavefunction.

Name

       sc::PsiHSOSHF - PsiHSOSHF is a concrete implementation of Psi ROHF wave function.

Synopsis

       #include <psiwfn.h>

       Inherits sc::PsiSCF.

   PublicMemberFunctionsPsiHSOSHF (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.

   ProtectedMemberFunctions
       void write_input (int conv)
           Prepares a complete Psi input file. The input file is assumed to have been opened.

   AdditionalInheritedMembers

See Also