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_
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.