BALL 1.5.0
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coulomb.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// $Id: coulomb.h,v 1.13 2005/12/23 17:01:43 amoll Exp $
5//
6
7#ifndef BALL_ENERGY_COULOMB_H
8#define BALL_ENERGY_COULOMB_H
9
10#ifndef BALL_COMMON_H
11# include <BALL/common.h>
12#endif
13
14namespace BALL
15{
16 class AtomContainer;
17
27} // namespace BALL
28
29#endif // BALL_ENERGY_COULOMB_H
BALL_EXPORT double calculateCoulomb(const AtomContainer &atoms)
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
#define BALL_EXPORT