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root/group/trunk/OOPSE/libmdtools/fSimulation.h
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Comparing:
branches/mmeineke/OOPSE/libmdtools/fSimulation.h (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/fSimulation.h (file contents), Revision 626 by mmeineke, Wed Jul 16 21:30:56 2003 UTC

# Line 7 | Line 7 | typedef  struct{
7      double,int,char.
8   */
9   typedef  struct{
10  double box[3];
11  double rlist;
12  double rcut;
13  double rrf;
14  double rt;
10    double dielect;
11    int SIM_uses_PBC;
12    int SIM_uses_LJ;
# Line 29 | Line 24 | type, public :: simtype
24   type, public :: simtype
25     PRIVATE
26     SEQUENCE
32   !! Periodic Box    
33   real ( kind = dp ), dimension(3) :: box
34   !! List Cutoff    
35   real ( kind = dp ) :: rlist = 0.0_dp
36   !! Radial cutoff
37   real ( kind = dp ) :: rcut  = 0.0_dp
38   !! Reaction Field sphere radius
39   real ( kind = dp ) :: rrf  = 0.0_dp
40   !! Taper radius for dipole and reaction field switching function
41   real ( kind = dp ) :: rt  = 0.0_dp
27     !! Dielectric Constant for reaction field
28     real ( kind = dp ) :: dielect = 0.0_dp
29     !! Periodic Boundry Conditions

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