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

   Additional Inherited Members

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.

Author

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