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

Comparing trunk/OOPSE/libmdtools/SimSetup.hpp (file contents):
Revision 407 by mmeineke, Wed Mar 26 20:22:02 2003 UTC vs.
Revision 498 by mmeineke, Mon Apr 14 21:22:54 2003 UTC

#	Line 8 \| Line 8 \| *void set_interface_stamps( MakeStamps ms, Globals* g**
8		#include "ReadWrite.hpp"
9
10		// this routine is defined in BASS_interface.cpp
11	<	void set_interface_stamps( MakeStamps* ms, Globals* g );
11	>	extern void set_interface_stamps( MakeStamps* ms, Globals* g );
12
13		class SimSetup{
14
#	Line 29 \| Line 29 \| class SimSetup{ (private)
29
30		void makeMolecules( void );
31
32	–	void makeAtoms( void );
33	–	void makeBonds( void );
34	–	void makeBends( void );
35	–	void makeTorsions( void );
36	–
32		void initFromBass( void );
33		void makeElement( double x, double y, double z );
34
#	Line 60 \| Line 55 \| class SimSetup{ (private)
55
56		Atom** the_atoms;
57		SRI** the_sris;
58	<	int *the_excludes;
58	>	Exclude** the_excludes;
59		Molecule* the_molecules;
60		ForceFields* the_ff;
61

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