sc_TaylorMolecularEnergy - Man Page

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

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.

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.