NAME
sc::VDWShape -
The VDWShape class describes the surface of a molecule as the union of
atom centered spheres, each the van der Waals radius of the atom.
SYNOPSIS
#include <molshape.h>
Inherits sc::UnionShape.
Public Member Functions
VDWShape (const Ref< Molecule > &)
VDWShape (const Ref< KeyVal > &)
void initialize (const Ref< Molecule > &)
Detailed Description
The VDWShape class describes the surface of a molecule as the union of
atom centered spheres, each the van der Waals radius of the atom.
Author
Generated automatically by Doxygen for MPQC from the source code.