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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
>
Inheritance diagram for sc::VDWShape
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Collaboration diagram for sc::VDWShape:
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List of all members.
Public Methods
VDWShape
(const
Ref
<
Molecule
> &)
VDWShape
(const
Ref
<
KeyVal
> &)
~VDWShape
()
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:
molshape.h
Generated at Mon Oct 14 14:18:04 2002 for
MPQC
2.1.2 using the documentation package
Doxygen
1.2.5.