1 // ******************************************************************************
2 //
3 // Title: Force Field X.
4 // Description: Force Field X - Software for Molecular Biophysics.
5 // Copyright: Copyright (c) Michael J. Schnieders 2001-2025.
6 //
7 // This file is part of Force Field X.
8 //
9 // Force Field X is free software; you can redistribute it and/or modify it
10 // under the terms of the GNU General Public License version 3 as published by
11 // the Free Software Foundation.
12 //
13 // Force Field X is distributed in the hope that it will be useful, but WITHOUT
14 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
15 // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
16 // details.
17 //
18 // You should have received a copy of the GNU General Public License along with
19 // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
20 // Place, Suite 330, Boston, MA 02111-1307 USA
21 //
22 // Linking this library statically or dynamically with other modules is making a
23 // combined work based on this library. Thus, the terms and conditions of the
24 // GNU General Public License cover the whole combination.
25 //
26 // As a special exception, the copyright holders of this library give you
27 // permission to link this library with independent modules to produce an
28 // executable, regardless of the license terms of these independent modules, and
29 // to copy and distribute the resulting executable under terms of your choice,
30 // provided that you also meet, for each linked independent module, the terms
31 // and conditions of the license of that module. An independent module is a
32 // module which is not derived from or based on this library. If you modify this
33 // library, you may extend this exception to your version of the library, but
34 // you are not obligated to do so. If you do not wish to do so, delete this
35 // exception statement from your version.
36 //
37 // ******************************************************************************
38 package ffx.openmm;
39
40 import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_VerletIntegrator_create;
41 import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_VerletIntegrator_destroy;
42 import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_VerletIntegrator_step;
43
44 /**
45 * Verlet Integrator.
46 */
47 public class VerletIntegrator extends Integrator {
48
49 /**
50 * Constructor.
51 *
52 * @param dt The time step.
53 */
54 public VerletIntegrator(double dt) {
55 super(OpenMM_VerletIntegrator_create(dt));
56 }
57
58 /**
59 * Destroy the integrator.
60 */
61 @Override
62 public void destroy() {
63 if (pointer != null) {
64 OpenMM_VerletIntegrator_destroy(pointer);
65 pointer = null;
66 }
67 }
68
69 /**
70 * Step the integrator.
71 *
72 * @param steps The number of steps to take.
73 */
74 @Override
75 public void step(int steps) {
76 OpenMM_VerletIntegrator_step(pointer, steps);
77 }
78 }