Simpatico  v1.10
LinearCvBias.cpp
1 /*
2 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
3 *
4 * Copyright 2010 - 2017, The Regents of the University of Minnesota
5 * Distributed under the terms of the GNU General Public License.
6 */
7 
8 #include "LinearCvBias.h"
9 
10 namespace McMd
11 {
12 
13  using namespace Util;
14 
15  /*
16  * Default constructor.
17  */
19  {}
20 
21  /*
22  * Default destructor.
23  */
25  {}
26 
27  /*
28  * Read parameters from file.
29  */
30  void LinearCvBias::readParameters(std::istream& in)
31  { read<double>(in, "k", k_); }
32 
33  /*
34  * Load internal state from archive.
35  */
37  { loadParameter<double>(ar, "k", k_); }
38 
39  /*
40  * Sae internal state to archive.
41  */
43  { ar << k_; }
44 
45  /*
46  * Compute and return the bias potential value.
47  */
48  double LinearCvBias::value(double cv)
49  { return k_*cv; }
50 
51  /*
52  * Compute and return the derivative of the bias potential.
53  */
54  double LinearCvBias::derivative(double cv)
55  { return k_; }
56 
57 }
virtual double derivative(double cv)
Compute and return the derivative of the bias potential.
virtual ~LinearCvBias()
Destructor.
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
virtual void readParameters(std::istream &in)
Read parameters from file.
virtual void save(Serializable::OArchive &ar)
Save internal state to an archive.
LinearCvBias()
Constructor.
virtual void loadParameters(Serializable::IArchive &ar)
Load internal state from an archive.
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
virtual double value(double cv)
Compute and return the bias potential value.