NAME
sc::ElectronDensity -
This is a Volume that computer the electron density.
SYNOPSIS
#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_
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.
Author
Generated automatically by Doxygen for MPQC from the source code.