BALL  1.5.0
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 
14 namespace BALL
15 {
16  class AtomContainer;
17 
26  BALL_EXPORT double calculateCoulomb(const AtomContainer& atoms);
27 } // namespace BALL
28 
29 #endif // BALL_ENERGY_COULOMB_H
BALL::atoms
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
BALL
Definition: constants.h:12
BALL::calculateCoulomb
BALL_EXPORT double calculateCoulomb(const AtomContainer &atoms)
common.h
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50