[ViewVC] Diff of: group/trunk/mdtools/headers/SimInfo.hpp

Comparing trunk/mdtools/headers/SimInfo.hpp (file contents):
Revision 242 by mmeineke, Thu Jan 23 16:21:04 2003 UTC vs.
Revision 249 by chuckv, Mon Jan 27 21:28:19 2003 UTC

#	Line 12 \| Line 12 \| class SimInfo{ (public)
12
13		public:
14
15	<	SimInfo(){}
15	>	SimInfo();
16		~SimInfo(){}
17
18		int n_atoms; // the number of atoms
#	Line 38 \| Line 38 \| class SimInfo{ (public)
38		SRI **sr_interactions;// the array of short range force objects
39		LRI *longRange; // the long range force object
40
41	+	double lrPot; // the potential energy from the long range calculations.
42	+
43		double box_x, box_y, box_z; // the periodic boundry conditions
44		double rList, rCut; // variables for the neighborlist
45
#	Line 54 \| Line 56 \| class SimInfo{ (public)
56		MoleculeStamp** compStamps;// the stamps matching the components
57		LinkedMolStamp* headStamp; // list of stamps used in the simulation
58
59	+
60
58	–
61		Integrator *the_integrator; // the integrator of the simulation
62
63		char finalName[300]; // the name of the eor file to be written

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