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root/group/trunk/OOPSE/libmdtools/SimSetup.hpp
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Comparing:
branches/mmeineke/OOPSE/libmdtools/SimSetup.hpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/SimSetup.hpp (file contents), 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 27 | Line 27 | class SimSetup{ (private)
27    void receiveParse(void);
28   #endif
29  
30 <  void makeAtoms( void );
31 <  void makeBonds( void );
32 <  void makeBends( void );
33 <  void makeTorsions( void );
30 >  void makeMolecules( void );
31  
32    void initFromBass( void );
33    void makeElement( double x, double y, double z );
# Line 58 | 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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