Simpatico  v1.10
McCoulombPotential.h
1 #ifndef MCMD_MC_COULOMB_POTENTIAL_H
2 #define MCMD_MC_COULOMB_POTENTIAL_H
3 
4 /*
5 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
6 *
7 * Copyright 2010 - 2012, David Morse (morse012@umn.edu)
8 * Distributed under the terms of the GNU General Public License.
9 */
10 
11 #include "CoulombPotential.h"
12 
13 namespace McMd
14 {
15 
16  class Atom;
17 
18  using namespace Util;
19 
25  class McCoulombPotential : public CoulombPotential
26  {
27 
28  public:
29 
33  McCoulombPotential(System& system);
34 
38  virtual ~McCoulombPotential();
39 
46  virtual double kspaceAtomEnergy(const Atom& atom) const = 0;
47 
48  };
49 
50 }
51 #endif
A set of interacting Molecules enclosed by a Boundary.
Definition: System.h:115
A point particle within a Molecule.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Long-range part of Coulomb potential for MC.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).