[ViewVC] Diff of: group/trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp

Comparing trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp (file contents):
Revision 348 by mmeineke, Fri Mar 14 21:33:10 2003 UTC vs.
Revision 368 by chuckv, Thu Mar 20 00:02:39 2003 UTC

#	Line 20 \| Line 20 \| SimInfo::SimInfo(){
20		setTemp = 0;
21		thermalTime = 0.0;
22
23	+	usePBC = 0;
24	+	useLJ = 0;
25	+	useSticky = 0;
26	+	useDipole = 0;
27	+	useReactionField = 0;
28	+	useGB = 0;
29	+	useEAM = 0;
30	+
31	+
32	+
33		wrapMeSimInfo( this );
34		}
35
#	Line 35 \| Line 45 \| void SimInfo::refreshSim(){
45		fInfo.rlist = rList;
46		fInfo.rcut = rCut;
47		fInfo.SIM_uses_PBC = usePBC;
48	+	fInfo.SIM_uses_LJ = useLJ;
49	+	fInfo.SIM_uses_sticky = useSticky;
50	+	fInfo.SIM_uses_dipoles = useDipole;
51	+	fInfo.SIM_uses_RF = useReactionField;
52	+	fInfo.SIM_uses_GB = useGB;
53	+	fInfo.SIM_uses_EAM = useEAM;
54
55	+
56		isError = 0;
40	–	setFsimulation( &fInfo, &isError );
57
58	+	fInfo;
59	+	n_atoms;
60	+	identArray;
61	+	n_exclude;
62	+	excludes;
63	+	nGlobalExcludes;
64	+	globalExcludes;
65	+	isError;
66	+
67	+	setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excludes, &nGlobalExcludes, globalExcludes, &isError );
68	+
69		if( isError ){
70
71		sprintf( painCave.errMsg,

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