sc::SumMolecularEnergy Class Reference

Inheritance diagram for sc::SumMolecularEnergy:
sc::MolecularEnergy sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity sc::MP2BasisExtrap

List of all members.

Public Member Functions

 SumMolecularEnergy (const Ref< KeyVal > &)
 SumMolecularEnergy (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.
int value_implemented () const
 Information about the availability of values, gradients, and hessians.
int gradient_implemented () const
int hessian_implemented () const
void set_x (const RefSCVector &)
 Set and retrieve the coordinate values.

Protected Member Functions

void compute ()
 Recompute at least the results that have compute true and are not already computed.

Protected Attributes

int n_
Ref< MolecularEnergy > * mole_
double * coef_

Member Function Documentation

void sc::SumMolecularEnergy::compute (  )  [protected, 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.

Reimplemented in sc::MP2BasisExtrap.

void sc::SumMolecularEnergy::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.

Reimplemented in sc::MP2BasisExtrap.

int sc::SumMolecularEnergy::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 Sat Jan 9 06:56:27 2010 for MPQC 2.3.1 using the documentation package Doxygen 1.6.1.