| 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.
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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| Sun Oct 4 2020 | Version 2.3.1 |