sc::ElectronDensity - This is a Volume that computer the electron density.
Contents
Detailed Description
This is a Volume that computer the electron density.
It can be used to generate isodensity surfaces.
Member Function Documentation
virtualvoidsc::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.
Name
sc::ElectronDensity - This is a Volume that computer the electron density.
Synopsis
#include <density.h>
Inherits sc::Volume.
PublicMemberFunctionsElectronDensity (const Ref< KeyVal > &)
ElectronDensity (const Ref< Wavefunction > &)
virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)
ProtectedMemberFunctions
virtual void compute ()
Recompute at least the results that have compute true and are not already computed.
ProtectedAttributesRef< Wavefunction > wfn_AdditionalInheritedMembers