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sc::VDWShape Class Reference

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. More...

#include <molshape.h>

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List of all members.

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.


The documentation for this class was generated from the following file:
Generated at Sat Dec 18 15:14:28 2004 for MPQC 2.2.3 using the documentation package Doxygen 1.3.7-20040617.