sc_VDWShape - Man Page
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
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Info
Tue Jan 26 2021 Version 2.3.1 MPQC