Public Member Functions

sc::TaylorMolecularEnergy Class Reference

Inheritance diagram for sc::TaylorMolecularEnergy:
sc::MolecularEnergy sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity

List of all members.

Public Member Functions

 TaylorMolecularEnergy (const Ref< KeyVal > &)
 TaylorMolecularEnergy (StateIn &)
void save_data_state (StateOut &)
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

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::value_implemented (  )  const [virtual]

Information about the availability of values, gradients, and hessians.

Reimplemented from sc::Function.


The documentation for this class was generated from the following file:

Generated at Tue Jan 25 2011 11:12:21 for MPQC 2.3.1 using the documentation package Doxygen 1.7.1.