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NAME

       sc::TaylorMolecularEnergy -

SYNOPSIS

       Inherits sc::MolecularEnergy.

   Public Member Functions
       TaylorMolecularEnergy (const Ref< KeyVal > &)
       TaylorMolecularEnergy (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.
       void print (std::ostream &=ExEnv::out0()) const
           Print information about the object.
       void compute ()
           Recompute at least the results that have compute true and are not
           already computed.
       int value_implemented () const
           Information about the availability of values, gradients, and
           hessians.
       int gradient_implemented () const
       int hessian_implemented () const

Member Function Documentation

   void sc::TaylorMolecularEnergy::compute () [virtual]
       Recompute at least the results that have compute true and are not
       already computed. This should only be called by Result’s members.

       Implements sc::Compute.

   void sc::TaylorMolecularEnergy::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::MolecularEnergy.

   int sc::TaylorMolecularEnergy::value_implemented () const [virtual]
       Information about the availability of values, gradients, and hessians.

       Reimplemented from sc::Function.

Author

       Generated automatically by Doxygen for MPQC from the source code.