sc::ElectronDensity(3) MPQC sc::ElectronDensity(3)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_
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::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
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Version 2.3.1 Fri Feb 19 2016 sc::ElectronDensity(3)
