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root/OpenMD/trunk/src/brains/fSimulation.h
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Comparing trunk/src/brains/fSimulation.h (file contents):
Revision 141 by gezelter, Fri Oct 22 21:21:02 2004 UTC vs.
Revision 523 by chrisfen, Thu May 5 14:47:35 2005 UTC

# Line 1 | Line 1
1   #ifdef __C
2 +
3   #ifndef __FSIMULATION
4 +
5   #define __FSIMULATION
6   /** This header provides dual access for the simulation structure between
7      fortran and C for the simtype structure. NOTE: Sequence of struct
# Line 15 | Line 17 | typedef  struct{
17    int SIM_uses_Charges;
18    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;
# Line 26 | Line 29 | typedef  struct{
29  
30   #ifdef  __FORTRAN90
31  
32 < type, public :: simtype
33 <   PRIVATE
34 <   SEQUENCE
35 <   !! Dielectric Constant for reaction field
36 <   real ( kind = dp ) :: dielect = 0.0_dp
37 <   !! Periodic Boundry Conditions
38 <   logical :: SIM_uses_PBC
39 <   logical :: SIM_uses_DirectionalAtoms
40 <   logical :: SIM_uses_LennardJones
41 <   logical :: SIM_uses_Electrostatics
42 <   logical :: SIM_uses_Charges
43 <   logical :: SIM_uses_Dipoles
44 <   logical :: SIM_uses_Sticky
45 <   logical :: SIM_uses_GayBerne
46 <   logical :: SIM_uses_EAM
47 <   logical :: SIM_uses_Shapes
48 <   logical :: SIM_uses_FLARB
49 <   logical :: SIM_uses_RF
50 < end type simtype
32 >  type, public :: simtype
33 >    PRIVATE
34 >    SEQUENCE
35 >    !! Dielectric Constant for reaction field
36 >    real ( kind = dp ) :: dielect = 0.0_dp
37 >    !! Periodic Boundry Conditions
38 >    logical :: SIM_uses_PBC
39 >    logical :: SIM_uses_DirectionalAtoms
40 >    logical :: SIM_uses_LennardJones
41 >    logical :: SIM_uses_Electrostatics
42 >    logical :: SIM_uses_Charges
43 >    logical :: SIM_uses_Dipoles
44 >    logical :: SIM_uses_Sticky
45 >    logical :: SIM_uses_StickyPower
46 >    logical :: SIM_uses_GayBerne
47 >    logical :: SIM_uses_EAM
48 >    logical :: SIM_uses_Shapes
49 >    logical :: SIM_uses_FLARB
50 >    logical :: SIM_uses_RF
51 >  end type simtype
52 >
53   #endif
54 +  

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