Public Member Functions¶

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

Additional Inherited Members¶

void sc::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.

void sc::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.