source: src/ThermoStatContainer.cpp@ 31fb1d

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Last change on this file since 31fb1d was bf3817, checked in by Frederik Heber <heber@…>, 15 years ago

Added ifdef HAVE_CONFIG and config.h include to each and every cpp file.

  • is now topmost in front of MemDebug.hpp (and any other).
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * ThermoStatContainer.cpp
3 *
4 * Created on: 12.06.2010
5 * Author: heber
6 */
7
8// include config.h
9#ifdef HAVE_CONFIG_H
10#include <config.h>
11#endif
12
13#include "Helpers/MemDebug.hpp"
14
15#include <cstring>
16
17#include "ConfigFileBuffer.hpp"
18#include "config.hpp"
19#include "Helpers/Log.hpp"
20#include "ThermoStatContainer.hpp"
21#include "Helpers/Verbose.hpp"
22
23/** Constructor for class ThermoStatContainer.
24 *
25 */
26ThermoStatContainer::ThermoStatContainer() :
27 Thermostat(4),
28 ThermostatImplemented(NULL),
29 ThermostatNames(NULL),
30 TempFrequency(2.5),
31 alpha(0.),
32 HooverMass(0.),
33 TargetTemp(0.00095004455),
34 ScaleTempStep(25)
35{
36 ThermostatImplemented = new int[MaxThermostats];
37 ThermostatNames = new char *[MaxThermostats];
38 for (int j=0;j<MaxThermostats;j++)
39 ThermostatNames[j] = new char[12];
40
41 strcpy(ThermostatNames[0],"None");
42 ThermostatImplemented[0] = 1;
43 strcpy(ThermostatNames[1],"Woodcock");
44 ThermostatImplemented[1] = 1;
45 strcpy(ThermostatNames[2],"Gaussian");
46 ThermostatImplemented[2] = 1;
47 strcpy(ThermostatNames[3],"Langevin");
48 ThermostatImplemented[3] = 1;
49 strcpy(ThermostatNames[4],"Berendsen");
50 ThermostatImplemented[4] = 1;
51 strcpy(ThermostatNames[5],"NoseHoover");
52 ThermostatImplemented[5] = 1;
53}
54
55/** Destructor for Class ThermoStatContainer.
56 *
57 */
58ThermoStatContainer::~ThermoStatContainer()
59{
60 delete[](ThermostatImplemented);
61 for (int j=0;j<MaxThermostats;j++)
62 delete[](ThermostatNames[j]);
63 delete[](ThermostatNames);
64}
65
66
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