Simpatico  v1.10
CvBias.h
1 #ifndef MCMD_CV_BIAS_H
2 #define MCMD_CV_BIAS_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 <util/param/ParamComposite.h>
12 
13 namespace McMd
14 {
15 
16  using namespace Util;
17 
26  class CvBias : public ParamComposite
27  {
28 
29  public:
30 
34  CvBias();
35 
41  virtual ~CvBias();
42 
48  virtual double value(double colVar) = 0;
49 
55  virtual double derivative(double colVar) = 0;
56 
57  };
58 
59 }
60 #endif
Bias potential as a function of a collective variable (CV).
Definition: CvBias.h:26
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
An object that can read multiple parameters from file.