| sc::ElectronDensity(3) | MPQC | sc::ElectronDensity(3) |
sc::ElectronDensity - This is a Volume that computer the electron density.
#include <density.h>
Inherits sc::Volume.
ElectronDensity (const Ref< KeyVal >
&)
ElectronDensity (const Ref< Wavefunction > &)
virtual void boundingbox (double valuemin, double valuemax,
SCVector3 &p1, SCVector3 &p2)
virtual void compute ()
Recompute at least the results that have compute true and are not already
computed.
Ref< Wavefunction > wfn_
This is a Volume that computer the electron density.
It can be used to generate isodensity surfaces.
Implements sc::Volume.
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.
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| Fri Dec 2 2022 | Version 2.3.1 |