NAMD
ComputeNonbondedGo.C
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1 
7 /*
8  Common operations for ComputeNonbonded classes
9 */
10 
11 // DMK - CHECK/DEBUG - Atom Separation (water vs. non-water)
12 #include "common.h"
13 #include "NamdTypes.h"
14 #if NAMD_SeparateWaters != 0
15  #define DEFINE_CHECK_WATER_SEPARATION
16 #endif
17 
18 
19 #include "ComputeNonbondedInl.h"
20 
21 #define GOFORCES
22 
23 #define NBTYPE NBPAIR
24 #include "ComputeNonbondedBase.h"
25 #define CALCENERGY
26 #include "ComputeNonbondedBase.h"
27 #undef CALCENERGY
28 #define FULLELECT
29 #include "ComputeNonbondedBase.h"
30 #define CALCENERGY
31 #include "ComputeNonbondedBase.h"
32 #undef CALCENERGY
33 #define MERGEELECT
34 #include "ComputeNonbondedBase.h"
35 #define CALCENERGY
36 #include "ComputeNonbondedBase.h"
37 #undef CALCENERGY
38 #undef MERGEELECT
39 #define SLOWONLY
40 #include "ComputeNonbondedBase.h"
41 #define CALCENERGY
42 #include "ComputeNonbondedBase.h"
43 #undef CALCENERGY
44 #undef SLOWONLY
45 #undef FULLELECT
46 #undef NBTYPE
47 
48 #define NBTYPE NBSELF
49 #include "ComputeNonbondedBase.h"
50 #define CALCENERGY
51 #include "ComputeNonbondedBase.h"
52 #undef CALCENERGY
53 #define FULLELECT
54 #include "ComputeNonbondedBase.h"
55 #define CALCENERGY
56 #include "ComputeNonbondedBase.h"
57 #undef CALCENERGY
58 #define MERGEELECT
59 #include "ComputeNonbondedBase.h"
60 #define CALCENERGY
61 #include "ComputeNonbondedBase.h"
62 #undef CALCENERGY
63 #undef MERGEELECT
64 #define SLOWONLY
65 #include "ComputeNonbondedBase.h"
66 #define CALCENERGY
67 #include "ComputeNonbondedBase.h"
68 #undef CALCENERGY
69 #undef SLOWONLY
70 #undef FULLELECT
71 #undef NBTYPE
72 
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