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

Comparing trunk/OOPSE/libmdtools/Thermo.hpp (file contents):
Revision 588 by gezelter, Thu Jul 10 17:10:56 2003 UTC vs.
Revision 755 by mmeineke, Tue Sep 9 20:35:25 2003 UTC

#	Line 10 \| Line 10 \| class Thermo{ (public)
10
11		public:
12
13	<	Thermo( SimInfo* the_entry_plug );
13	>	Thermo( SimInfo* the_info );
14		~Thermo();
15
16		// note: all the following energies are in kcal/mol
#	Line 20 \| Line 20 \| class Thermo{ (public)
20		double getTotalE(); // gets the total energy
21
22		double getTemperature(); // gives the instant temp. in K
23	+
24		double getPressure(); // gives the instant pressure in atm;
25	+	double getPressureX(); // gives the instant pressure in atm;
26	+	double getPressureY(); // gives the instant pressure in atm;
27	+	double getPressureZ(); // gives the instant pressure in atm;
28	+
29		void getPressureTensor(double press[3][3]); // gives the pressure
30		// tensor in
31		// amufs^-2Ang^-1
#	Line 36 \| Line 41 \| class Thermo{ (public)
41		void getCOMVel(double vdrift[3]);
42
43		private:
44	<	SimInfo* entry_plug;
44	>	SimInfo* info;
45		gaussianSPRNG *gaussStream;
46
47		};

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