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sc::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 sc::SumDenFunctional:

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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::out0()) 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 sc::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 sc::DenFunctional.

Reimplemented in sc::StdDenFunctional.


The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:17:07 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14.