NAME

       sc::PsiCCSD_T - PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function.

SYNOPSIS

       #include <psiwfn.h>

       Inherits sc::PsiWavefunction.

   Public Member Functions
       PsiCCSD_T (const Ref< KeyVal > &)
       PsiCCSD_T (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.
       int spin_polarized ()
           Return 1 if the alpha density is not equal to the beta density.
       int gradient_implemented () const

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

   Additional Inherited Members

Detailed Description

       PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function.

Member Function Documentation

   void sc::PsiCCSD_T::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

       Generated automatically by Doxygen for MPQC from the source code.

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