MPQC  2.3.1
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 &)
 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

Member Function Documentation

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.

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 Wed May 23 2012 03:34:41 for MPQC 2.3.1 using the documentation package Doxygen 1.7.6.1.