ComputeNonbondedGo.C

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00001 
00007 /*
00008    Common operations for ComputeNonbonded classes
00009 */
00010 
00011 // DMK - CHECK/DEBUG - Atom Separation (water vs. non-water)
00012 #include "common.h"
00013 #include "NamdTypes.h"
00014 #if NAMD_SeparateWaters != 0
00015   #define DEFINE_CHECK_WATER_SEPARATION
00016 #endif
00017 
00018 
00019 #include "ComputeNonbondedInl.h"
00020 
00021 #define GOFORCES
00022 
00023 #define NBTYPE NBPAIR
00024 #include "ComputeNonbondedBase.h"
00025 #define CALCENERGY
00026 #include "ComputeNonbondedBase.h"
00027 #undef CALCENERGY
00028 #define FULLELECT
00029 #include "ComputeNonbondedBase.h"
00030 #define CALCENERGY
00031 #include "ComputeNonbondedBase.h"
00032 #undef CALCENERGY
00033 #define MERGEELECT
00034 #include "ComputeNonbondedBase.h"
00035 #define CALCENERGY
00036 #include "ComputeNonbondedBase.h"
00037 #undef CALCENERGY
00038 #undef MERGEELECT
00039 #define SLOWONLY
00040 #include "ComputeNonbondedBase.h"
00041 #define CALCENERGY
00042 #include "ComputeNonbondedBase.h"
00043 #undef CALCENERGY
00044 #undef SLOWONLY
00045 #undef FULLELECT
00046 #undef  NBTYPE
00047 
00048 #define NBTYPE NBSELF
00049 #include "ComputeNonbondedBase.h"
00050 #define CALCENERGY
00051 #include "ComputeNonbondedBase.h"
00052 #undef CALCENERGY
00053 #define FULLELECT
00054 #include "ComputeNonbondedBase.h"
00055 #define CALCENERGY
00056 #include "ComputeNonbondedBase.h"
00057 #undef CALCENERGY
00058 #define MERGEELECT
00059 #include "ComputeNonbondedBase.h"
00060 #define CALCENERGY
00061 #include "ComputeNonbondedBase.h"
00062 #undef CALCENERGY
00063 #undef MERGEELECT
00064 #define SLOWONLY
00065 #include "ComputeNonbondedBase.h"
00066 #define CALCENERGY
00067 #include "ComputeNonbondedBase.h"
00068 #undef CALCENERGY
00069 #undef SLOWONLY
00070 #undef FULLELECT
00071 #undef  NBTYPE
00072 

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