[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Integrator.hpp

Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 565 by gezelter, Tue Jun 24 22:51:57 2003 UTC vs.
Revision 574 by gezelter, Tue Jul 8 20:56:10 2003 UTC

#	Line 116 \| Line 116 \| class NVT : public Integrator{ (protected)
116		};
117
118
119	<	class NPT : public Integrator{
119	>	class NPTi : public Integrator{
120
121		public:
122
123	<	NPT ( SimInfo theInfo, ForceFields the_ff);
124	<	virtual ~NPT() {};
123	>	NPTi ( SimInfo theInfo, ForceFields the_ff);
124	>	virtual ~NPTi() {};
125
126		void setTauThermostat(double tt) {tauThermostat = tt; have_tau_thermostat=1;}
127		void setTauBarostat(double tb) {tauBarostat = tb; have_tau_barostat=1;}
#	Line 139 \| Line 139 \| class NPT : public Integrator{ (protected)
139
140		double chi;
141		double eta;
142	+	double NkBT;
143
144		// targetTemp, targetPressure, and tauBarostat must be set.
145		// One of qmass or tauThermostat must be set;

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