Provided by: libsc-doc_2.3.1-21_all
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
Generated automatically by Doxygen for MPQC from the source code.