sc_ElectronDensity3
This is a volume that computer the electron density.
Usage
#include <density.h>
Inherits sc::Volume.
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< Wavefunction > wfn_
Additional Inherited Members
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::boundingbox (double valuemin, double valuemax, SCVector3 & p1, SCVector3 & p2) [virtual]
Implements sc::Volume.
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.
Releases
5 releases since Debian 4.0 (Etch); the text changed 4 times.