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sc::TaylorMolecularEnergy

Author

       Generated automatically by Doxygen for MPQC from the source code.

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

Member Function Documentation

voidsc::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.

   voidsc::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.

Name

       sc::TaylorMolecularEnergy

Synopsis

       Inherits sc::MolecularEnergy.

   PublicMemberFunctionsTaylorMolecularEnergy (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

   AdditionalInheritedMembers

See Also