Simpatico  v1.10
LinearGenerator.h
1 #ifndef MCMD_LINEAR_GENERATOR_H
2 #define MCMD_LINEAR_GENERATOR_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 "Generator.h"
12 
13 namespace Simp
14 {
15  class Species;
16 }
17 
18 namespace McMd
19 {
20 
21  class System;
22  class Molecule;
23  class CellList;
24 
25  using namespace Util;
26  using namespace Simp;
27 
34  class LinearGenerator : public Generator
35  {
36 
37  public:
38 
45  LinearGenerator(Species& species, System& system);
46 
47  protected:
48 
60  bool attemptPlaceMolecule(Molecule& molecule,
61  Array<double> const & diameters,
62  CellList& cellList);
63 
64  };
65 
66 }
67 #endif
Generates random configurations for linear molecules.
A set of interacting Molecules enclosed by a Boundary.
Definition: System.h:115
Classes used by all simpatico molecular simulations.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Generates initial configurations for molecules of one species.
Definition: Generator.h:38
A cell list for Atom objects in a periodic system boundary.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A physical molecule (a set of covalently bonded Atoms).
A Species represents a set of chemically similar molecules.