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

Comparing trunk/OOPSE/libmdtools/SimSetup.hpp (file contents):
Revision 670 by mmeineke, Thu Aug 7 21:47:18 2003 UTC vs.
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC

#	Line 19 \| Line 19 \| class SimSetup{ (public)
19
20		void setSimInfo( SimInfo* the_info ) { info = the_info; }
21		void setSimInfo( SimInfo* the_info, int theNinfo );
22	+	void suspendInit( void ) { initSuspend = true; }
23		void parseFile( char* fileName );
24		void createSim( void );
25
#	Line 36 \| Line 37 \| class SimSetup{ (public)
37		void makeOutNames(void);
38		void makeIntegrator(void);
39		void initFortran(void);
40	+	void makeMinimizer(void);
41
42		void createFF( void );
43		void compList( void );
#	Line 57 \| Line 59 \| class SimSetup{ (public)
59		int ensembleCase;
60		int ffCase;
61
60	–
62		MakeStamps* stamps;
63		Globals* globals;
64		char* inFileName;
#	Line 65 \| Line 66 \| class SimSetup{ (public)
66		SimInfo* info;
67		int isInfoArray;
68		int nInfo;
69	+
70	+	bool initSuspend;
71
72		int n_components;
73		int globalAtomIndex;
#	Line 95 \| Line 98 \| class SimSetup{ (public)
98		int* globalIndex;
99		#endif //is_mpi
100
101	<	void setupZConstraint(void);
101	>	void setupZConstraint(SimInfo& theInfo); //setup parameters for zconstraint method
102
103		};
104		#endif

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