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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 963 by tim, Wed May 17 21:51:42 2006 UTC vs.
branches/development/src/brains/fSimulation.h (file contents), Revision 1528 by gezelter, Fri Dec 17 20:11:05 2010 UTC

# Line 1 | Line 1
1 < #ifdef __C
1 > #ifdef __OPENMD_C
2  
3   #ifndef __FSIMULATION
4  
# 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;
15 <  int SIM_uses_Electrostatics;
16 <  int SIM_uses_Charges;
17 <  int SIM_uses_Dipoles;
19 <  int SIM_uses_Sticky;
20 <  int SIM_uses_StickyPower;
21 <  int SIM_uses_GayBerne;
22 <  int SIM_uses_EAM;
23 <  int SIM_uses_Shapes;
24 <  int SIM_uses_FLARB;
25 <  int SIM_uses_RF;
26 <  int SIM_uses_SF;
27 <  int SIM_uses_SC;
28 <  int SIM_uses_MEAM;
14 >  int SIM_uses_MetallicAtoms;
15 >  int SIM_uses_AtomicVirial;
16 >  int SIM_requires_SkipCorrection;
17 >  int SIM_requires_SelfCorrection;
18   } simtype;
19   #endif /*__FSIMULATION*/
20 < #endif /*__C*/
20 > #endif /*__OPENMD_C*/
21  
22   #ifdef  __FORTRAN90
23  
24    type, public :: simtype
25      PRIVATE
26      SEQUENCE
38 –    !! Dielectric Constant for reaction field
39 –    real ( kind = dp ) :: dielect = 0.0_dp
27      !! Periodic Boundry Conditions
28      logical :: SIM_uses_PBC
29      logical :: SIM_uses_DirectionalAtoms
30 <    logical :: SIM_uses_LennardJones
31 <    logical :: SIM_uses_Electrostatics
32 <    logical :: SIM_uses_Charges
33 <    logical :: SIM_uses_Dipoles
47 <    logical :: SIM_uses_Sticky
48 <    logical :: SIM_uses_StickyPower
49 <    logical :: SIM_uses_GayBerne
50 <    logical :: SIM_uses_EAM
51 <    logical :: SIM_uses_Shapes
52 <    logical :: SIM_uses_FLARB
53 <    logical :: SIM_uses_RF
54 <    logical :: SIM_uses_SF
55 <    logical :: SIM_uses_SC
56 <    logical :: SIM_uses_MEAM
30 >    logical :: SIM_uses_MetallicAtoms
31 >    logical :: SIM_uses_AtomicVirial
32 >    logical :: SIM_requires_SkipCorrection
33 >    logical :: SIM_requires_SelfCorrection
34    end type simtype
35  
36   #endif

Comparing:
trunk/src/brains/fSimulation.h (property svn:keywords), Revision 963 by tim, Wed May 17 21:51:42 2006 UTC vs.
branches/development/src/brains/fSimulation.h (property svn:keywords), Revision 1528 by gezelter, Fri Dec 17 20:11:05 2010 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

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