sc_ElectronDensity (3) - Linux Man Pages

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.