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'.