Simpatico  v1.10
MdColVar.h
1 #ifndef MCMD_MD_COLVAR_H
2 #define MCMD_MD_COLVAR_H
3 
4 /*
5 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
6 *
7 * Copyright 2010 - 2017, The Regents of the University of Minnesota
8 * Distributed under the terms of the GNU General Public License.
9 */
10 
11 #include "ColVar.h"
12 
13 namespace McMd
14 {
15 
16  using namespace Util;
17 
28  class MdColVar : public ColVar
29  {
30 
31  public:
32 
36  MdColVar();
37 
41  virtual ~MdColVar();
42 
54  virtual void addForces(double dWdCv) = 0;
55 
56  };
57 
58 }
59 #endif
Collective variables for MD simulation, with atom forces.
Definition: MdColVar.h:28
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Abstract base class for collective variables.
Definition: ColVar.h:29