table of contents
| sc::VDWShape(3) | MPQC | sc::VDWShape(3) |
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 > &)
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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| Sun Oct 4 2020 | Version 2.3.1 |