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sc::VDWShape - The VDWShape class describes the surface of a molecule as the union of atom centered

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                                  sc::VDWShape(3)

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.

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.

   PublicMemberFunctionsVDWShape (const Ref< Molecule > &)
       VDWShape (const Ref< KeyVal > &)
       void initialize (const Ref< Molecule > &)

   AdditionalInheritedMembers

See Also