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root/group/trunk/OOPSE-4/src/UseTheForce/DarkSide/fInteractionMap.h
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Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/fInteractionMap.h (file contents):
Revision 2361 by gezelter, Wed Oct 12 21:00:50 2005 UTC vs.
Revision 2401 by chuckv, Tue Nov 1 18:29:57 2005 UTC

# Line 12 | Line 12
12   #define SHAPE_PAIR         128
13   #define SHAPE_LJ           256
14   #define FLARB_PAIR         512
15 + #define SUTTONCHEN_PAIR    1024
16 + #define MEAM_PAIR          2048
17  
18   #define LR_POT_TYPES      4
19  
20 < #define VDW_POT           1
21 < #define ELECTROSTATIC_POT 2
22 < #define HB_POT            3
23 < #define METALLIC_POT      4
20 > #define VDW_POT           0
21 > #define ELECTROSTATIC_POT 1
22 > #define HB_POT            2
23 > #define METALLIC_POT      3
24  
25  
26   #endif
# Line 36 | Line 38
38    INTEGER, PARAMETER:: SHAPE_PAIR         = 128
39    INTEGER, PARAMETER:: SHAPE_LJ           = 256
40    INTEGER, PARAMETER:: FLARB_PAIR         = 512
41 +  INTEGER ,PARAMETER:: SUTTONCHEN_PAIR    = 1024
42 +  INTEGER ,PARAMETER:: MEAM_PAIR          = 2048
43 +
44  
40 –  INTEGER, PARAMETER:: LR_POT_TYPES      =   4
45  
46 +  INTEGER, PARAMETER:: LR_POT_TYPES      =   4
47 +  !! remember fortran is shifted up by one for arrays
48    INTEGER, PARAMETER:: VDW_POT           =   1
49    INTEGER, PARAMETER:: ELECTROSTATIC_POT =   2
50    INTEGER, PARAMETER:: HB_POT            =   3

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