NAME

       sc::SumMolecularEnergy

SYNOPSIS

       Inherits sc::MolecularEnergy.

       Inherited by sc::MP2BasisExtrap.

   Public Member Functions
       SumMolecularEnergy (const Ref< KeyVal > &)
       SumMolecularEnergy (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 value_implemented () const
           Information about the availability of values, gradients, and hessians.
       int gradient_implemented () const
       int hessian_implemented () const
       void set_x (const RefSCVector &)
           Set and retrieve the coordinate values.

   Protected Member Functions
       void compute ()
           Recompute at least the results that have compute true and are not already computed.

   Protected Attributes
       int n_
       Ref< MolecularEnergy > * mole_
       double * coef_

   Additional Inherited Members

Member Function Documentation

   void sc::SumMolecularEnergy::compute () [protected],  [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.

       Reimplemented in sc::MP2BasisExtrap.

   void sc::SumMolecularEnergy::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.

       Reimplemented in sc::MP2BasisExtrap.

Author

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