sc::TaylorMolecularEnergy
Contents
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