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SumDenFunctional Class Reference

The SumDenFunctional computes energies and densities using the a sum of energy density functions method. More...

#include <functional.h>

Inheritance diagram for SumDenFunctional:

DenFunctional SavableState DescribedClass RefCount Identity StdDenFunctional List of all members.

Public Methods

 SumDenFunctional ()
 SumDenFunctional (const Ref< KeyVal > &)
 SumDenFunctional (StateIn &)
 ~SumDenFunctional ()
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. More...

void set_spin_polarized (int)
void set_compute_potential (int)
int need_density_gradient ()
void point (const PointInputData &, PointOutputData &)
void print (std::ostream &=ExEnv::out()) const
 Print the object.


Protected Attributes

int n_
Ref< DenFunctional > * funcs_
double * coefs_

Detailed Description

The SumDenFunctional computes energies and densities using the a sum of energy density functions method.


Member Function Documentation

void SumDenFunctional::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 DenFunctional.

Reimplemented in StdDenFunctional.


The documentation for this class was generated from the following file:
Generated at Sat Nov 9 12:43:52 2002 for MPQC 2.0.4 using the documentation package Doxygen 1.2.15.