Simpatico  v1.10
PointGenerator.h
1 #ifndef MCMD_POINT_GENERATOR_H
2 #define MCMD_POINT_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  class Species;
15 }
16 
17 namespace McMd
18 {
19 
20  class System;
21  class Molecule;
22  class CellList;
23 
24  using namespace Util;
25  using namespace Simp;
26 
32  class PointGenerator : public Generator
33  {
34 
35  public:
36 
43  PointGenerator(Simp::Species& species, System& system);
44 
45  protected:
46 
57  bool attemptPlaceMolecule(Molecule& molecule,
58  Array<double> const & diameters,
59  CellList& cellList);
60 
61  };
62 
63 }
64 #endif
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.
Generator for monoatomic molecules (atoms).