ComputeNonbondedStd.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 NBTYPE NBPAIR
00022 #include "ComputeNonbondedBase.h"
00023 #define CALCENERGY
00024 #include "ComputeNonbondedBase.h"
00025 #undef CALCENERGY
00026 #define FULLELECT
00027 #include "ComputeNonbondedBase.h"
00028 #define CALCENERGY
00029 #include "ComputeNonbondedBase.h"
00030 #undef CALCENERGY
00031 #define MERGEELECT
00032 #include "ComputeNonbondedBase.h"
00033 #define CALCENERGY
00034 #include "ComputeNonbondedBase.h"
00035 #undef CALCENERGY
00036 #undef MERGEELECT
00037 #define SLOWONLY
00038 #include "ComputeNonbondedBase.h"
00039 #define CALCENERGY
00040 #include "ComputeNonbondedBase.h"
00041 #undef CALCENERGY
00042 #undef SLOWONLY
00043 #undef FULLELECT
00044 #undef  NBTYPE
00045 
00046 #define NBTYPE NBSELF
00047 #include "ComputeNonbondedBase.h"
00048 #define CALCENERGY
00049 #include "ComputeNonbondedBase.h"
00050 #undef CALCENERGY
00051 #define FULLELECT
00052 #include "ComputeNonbondedBase.h"
00053 #define CALCENERGY
00054 #include "ComputeNonbondedBase.h"
00055 #undef CALCENERGY
00056 #define MERGEELECT
00057 #include "ComputeNonbondedBase.h"
00058 #define CALCENERGY
00059 #include "ComputeNonbondedBase.h"
00060 #undef CALCENERGY
00061 #undef MERGEELECT
00062 #define SLOWONLY
00063 #include "ComputeNonbondedBase.h"
00064 #define CALCENERGY
00065 #include "ComputeNonbondedBase.h"
00066 #undef CALCENERGY
00067 #undef SLOWONLY
00068 #undef FULLELECT
00069 #undef  NBTYPE
00070 
00071 
00072 #define INTFLAG
00073 #define CALCENERGY
00074 
00075 #define NBTYPE NBPAIR
00076 #include "ComputeNonbondedBase.h"
00077 #define FULLELECT
00078 #include "ComputeNonbondedBase.h"
00079 #define MERGEELECT
00080 #include "ComputeNonbondedBase.h"
00081 #undef MERGEELECT
00082 #undef FULLELECT
00083 #undef  NBTYPE
00084 
00085 #define NBTYPE NBSELF
00086 #include "ComputeNonbondedBase.h"
00087 #define FULLELECT
00088 #include "ComputeNonbondedBase.h"
00089 #define MERGEELECT
00090 #include "ComputeNonbondedBase.h"
00091 #undef MERGEELECT
00092 #undef FULLELECT
00093 #undef  NBTYPE
00094 
00095 #undef CALCENERGY
00096 #undef INTFLAG
00097 
00098 // moved to ComputeNonbondedPprof.C
00099 #if 0
00100 
00101 #define PPROFFLAG
00102 #define CALCENERGY
00103 
00104 #define NBTYPE NBPAIR
00105 #include "ComputeNonbondedBase.h"
00106 #define FULLELECT
00107 #include "ComputeNonbondedBase.h"
00108 #define MERGEELECT
00109 #include "ComputeNonbondedBase.h"
00110 #undef MERGEELECT
00111 #undef FULLELECT
00112 #undef  NBTYPE
00113 
00114 #define NBTYPE NBSELF
00115 #include "ComputeNonbondedBase.h"
00116 #define FULLELECT
00117 #include "ComputeNonbondedBase.h"
00118 #define MERGEELECT
00119 #include "ComputeNonbondedBase.h"
00120 #undef MERGEELECT
00121 #undef FULLELECT
00122 #undef  NBTYPE
00123 
00124 #undef CALCENERGY
00125 #undef PPROFFLAG
00126 
00127 #endif
00128 

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