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.

Provided by: libsc-doc (Version: 2.3.1-21)
Source: mpqc
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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

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