| [a3fded] | 1 | /* | 
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|  | 2 | * ThermoStatContainer.cpp | 
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|  | 3 | * | 
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|  | 4 | *  Created on: 12.06.2010 | 
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|  | 5 | *      Author: heber | 
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|  | 6 | */ | 
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|  | 7 |  | 
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|  | 8 | #include <cstring> | 
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|  | 9 |  | 
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|  | 10 | #include "ConfigFileBuffer.hpp" | 
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|  | 11 | #include "config.hpp" | 
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| [952f38] | 12 | #include "Helpers/Log.hpp" | 
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| [a3fded] | 13 | #include "ThermoStatContainer.hpp" | 
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| [952f38] | 14 | #include "Helpers/Verbose.hpp" | 
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| [a3fded] | 15 |  | 
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|  | 16 | /** Constructor for class ThermoStatContainer. | 
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|  | 17 | * | 
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|  | 18 | */ | 
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| [97b825] | 19 | ThermoStatContainer::ThermoStatContainer() : | 
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|  | 20 | Thermostat(4), | 
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|  | 21 | ThermostatImplemented(NULL), | 
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|  | 22 | ThermostatNames(NULL), | 
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|  | 23 | TempFrequency(2.5), | 
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|  | 24 | alpha(0.), | 
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|  | 25 | HooverMass(0.), | 
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|  | 26 | TargetTemp(0.00095004455), | 
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|  | 27 | ScaleTempStep(25) | 
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| [a3fded] | 28 | { | 
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|  | 29 | ThermostatImplemented = new int[MaxThermostats]; | 
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|  | 30 | ThermostatNames = new char *[MaxThermostats]; | 
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|  | 31 | for (int j=0;j<MaxThermostats;j++) | 
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|  | 32 | ThermostatNames[j] = new char[12]; | 
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|  | 33 |  | 
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|  | 34 | strcpy(ThermostatNames[0],"None"); | 
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|  | 35 | ThermostatImplemented[0] = 1; | 
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|  | 36 | strcpy(ThermostatNames[1],"Woodcock"); | 
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|  | 37 | ThermostatImplemented[1] = 1; | 
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|  | 38 | strcpy(ThermostatNames[2],"Gaussian"); | 
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|  | 39 | ThermostatImplemented[2] = 1; | 
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|  | 40 | strcpy(ThermostatNames[3],"Langevin"); | 
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|  | 41 | ThermostatImplemented[3] = 1; | 
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|  | 42 | strcpy(ThermostatNames[4],"Berendsen"); | 
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|  | 43 | ThermostatImplemented[4] = 1; | 
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|  | 44 | strcpy(ThermostatNames[5],"NoseHoover"); | 
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|  | 45 | ThermostatImplemented[5] = 1; | 
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|  | 46 | } | 
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|  | 47 |  | 
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|  | 48 | /** Destructor for Class ThermoStatContainer. | 
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|  | 49 | * | 
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|  | 50 | */ | 
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|  | 51 | ThermoStatContainer::~ThermoStatContainer() | 
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|  | 52 | { | 
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|  | 53 | delete[](ThermostatImplemented); | 
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|  | 54 | for (int j=0;j<MaxThermostats;j++) | 
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|  | 55 | delete[](ThermostatNames[j]); | 
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|  | 56 | delete[](ThermostatNames); | 
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|  | 57 | } | 
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|  | 58 |  | 
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|  | 59 |  | 
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