sc::ElectronDensity Class Reference

This is a Volume that computer the electron density. More...

#include <density.h>

Inheritance diagram for sc::ElectronDensity:

sc::Volume sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity List of all members.

Public Member Functions

 ElectronDensity (const Ref< KeyVal > &)
 ElectronDensity (const Ref< Wavefunction > &)
virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)

Protected Member Functions

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

Protected Attributes

Ref< Wavefunctionwfn_

Detailed Description

This is a Volume that computer the electron density.

It can be used to generate isodensity surfaces.


Member Function Documentation

virtual void sc::ElectronDensity::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::Volume.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:55 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.