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root/group/trunk/OOPSE/libmdtools/Integrator.hpp
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Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 423 by mmeineke, Thu Mar 27 20:12:15 2003 UTC

# Line 24 | Line 24 | class Verlet : public Integrator { (private)
24    SimInfo *entry_plug; // all the info we'll ever need
25    int c_natoms;  /* the number of atoms */
26    Atom **c_atoms; /* array of atom pointers */
27 <  SRI **c_sr_interactions; /* array of SRI pointers */
28 <  int c_n_SRI; /* the number of short range interactions */
27 >  Molecule* molecules;
28 >  int nMols;
29  
30    int c_is_constrained; /*boolean to know whether the systems contains
31                            constraints. */
# Line 56 | Line 56 | class Symplectic : public Integrator { (private)
56    SimInfo* entry_plug;
57    ForceFields* myFF;
58  
59 +  Molecule* molecules;
60 +  int nMols;
61 +
62    int is_constrained; /*boolean to know whether the systems contains
63                            constraints. */
64    int n_constrained; /*counter for number of constraints */

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