sc_VDWShape man page

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 > &)

Additional Inherited Members

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.

Info

Fri May 6 2016 Version 2.3.1 MPQC