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root/OpenMD/branches/development/src/brains/fSimulation.h
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Comparing trunk/src/brains/fSimulation.h (file contents):
Revision 998 by chrisfen, Mon Jul 3 13:18:43 2006 UTC vs.
Revision 1126 by gezelter, Fri Apr 6 21:53:43 2007 UTC

# Line 9 | Line 9 | typedef  struct{
9      RealType,int,char.
10   */
11   typedef  struct{
12 –  RealType dielect;
12    int SIM_uses_PBC;
13    int SIM_uses_DirectionalAtoms;
14    int SIM_uses_LennardJones;
# Line 28 | Line 27 | typedef  struct{
27    int SIM_uses_SC;
28    int SIM_uses_MEAM;
29    int SIM_uses_BoxDipole;
30 +  int SIM_uses_AtomicVirial;
31   } simtype;
32   #endif /*__FSIMULATION*/
33   #endif /*__C*/
# Line 37 | Line 37 | typedef  struct{
37    type, public :: simtype
38      PRIVATE
39      SEQUENCE
40 –    !! Dielectric Constant for reaction field
41 –    real ( kind = dp ) :: dielect = 0.0_dp
40      !! Periodic Boundry Conditions
41      logical :: SIM_uses_PBC
42      logical :: SIM_uses_DirectionalAtoms
# Line 58 | Line 56 | typedef  struct{
56      logical :: SIM_uses_SC
57      logical :: SIM_uses_MEAM
58      logical :: SIM_uses_BoxDipole
59 +    logical :: SIM_uses_AtomicVirial
60    end type simtype
61  
62   #endif

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