sc::SumMolecularEnergy

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

voidsc::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.

   voidsc::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.

       sc::SumMolecularEnergy

       Inherits sc::MolecularEnergy.

       Inherited by sc::MP2BasisExtrap.

   PublicMemberFunctionsSumMolecularEnergy (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.

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

   ProtectedAttributes
       int n_Ref< MolecularEnergy > * mole_
       double * coef_AdditionalInheritedMembers