Simpatico  v1.10
LinearCvBias.h
1 #ifndef MCMD_LINEAR_CV_BIAS_H
2 #define MCMD_LINEAR_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 <mcMd/colvars/CvBias.h>
12 
13 namespace McMd
14 {
15 
16  using namespace Util;
17 
27  class LinearCvBias : public CvBias
28  {
29 
30  public:
31 
35  LinearCvBias();
36 
42  virtual ~LinearCvBias();
43 
49  virtual void readParameters(std::istream& in);
50 
56  virtual void loadParameters(Serializable::IArchive& ar);
57 
63  virtual void save(Serializable::OArchive& ar);
64 
72  virtual double value(double cv);
73 
81  virtual double derivative(double cv);
82 
83  private:
84 
85  // Prefactor
86  double k_;
87 
88  };
89 
90 }
91 #endif
Bias potential as a function of a collective variable (CV).
Definition: CvBias.h:26
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Linear function of a collective variable (CV).
Definition: LinearCvBias.h:27
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).