sc_TaylorMolecularEnergy - Man Page
sc::TaylorMolecularEnergy
Synopsis
Inherits sc::MolecularEnergy.
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
Member Function Documentation
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.
int sc::TaylorMolecularEnergy::gradient_implemented () const [virtual]
Reimplemented from sc::Function.
int sc::TaylorMolecularEnergy::hessian_implemented () const [virtual]
Reimplemented from sc::MolecularEnergy.
void sc::TaylorMolecularEnergy::print (std::ostream & = ExEnv::out0()) const [virtual]
Print information about the object.
Reimplemented from sc::MolecularEnergy.
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.
int sc::TaylorMolecularEnergy::value_implemented () const [virtual]
Information about the availability of values, gradients, and hessians.
Reimplemented from sc::Function.
Author
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