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37 #include "kernel_ref.h"
44 #include "gromacs/math/functions.h"
45 #include "gromacs/math/vec.h"
46 #include "gromacs/mdlib/gmx_omp_nthreads.h"
47 #include "gromacs/mdtypes/interaction_const.h"
48 #include "gromacs/mdtypes/md_enums.h"
49 #include "gromacs/nbnxm/nbnxm.h"
50 #include "gromacs/pbcutil/ishift.h"
51 #include "gromacs/utility/fatalerror.h"
52 #include "gromacs/utility/smalloc.h"
54 /* Analytical reaction-field kernels */
57 #include "kernel_ref_includes.h"
59 #define LJ_FORCE_SWITCH
60 #include "kernel_ref_includes.h"
61 #undef LJ_FORCE_SWITCH
63 #include "kernel_ref_includes.h"
67 #define LJ_EWALD_COMB_GEOM
68 #include "kernel_ref_includes.h"
69 #undef LJ_EWALD_COMB_GEOM
70 #define LJ_EWALD_COMB_LB
71 #include "kernel_ref_includes.h"
72 #undef LJ_EWALD_COMB_LB
78 /* Tabulated exclusion interaction electrostatics kernels */
81 #include "kernel_ref_includes.h"
83 #define LJ_FORCE_SWITCH
84 #include "kernel_ref_includes.h"
85 #undef LJ_FORCE_SWITCH
87 #include "kernel_ref_includes.h"
91 #define LJ_EWALD_COMB_GEOM
92 #include "kernel_ref_includes.h"
93 #undef LJ_EWALD_COMB_GEOM
94 #define LJ_EWALD_COMB_LB
95 #include "kernel_ref_includes.h"
96 #undef LJ_EWALD_COMB_LB
99 /* Twin-range cut-off kernels */
100 #define VDW_CUTOFF_CHECK
102 #include "kernel_ref_includes.h"
104 #define LJ_FORCE_SWITCH
105 #include "kernel_ref_includes.h"
106 #undef LJ_FORCE_SWITCH
107 #define LJ_POT_SWITCH
108 #include "kernel_ref_includes.h"
112 #define LJ_EWALD_COMB_GEOM
113 #include "kernel_ref_includes.h"
114 #undef LJ_EWALD_COMB_GEOM
115 #define LJ_EWALD_COMB_LB
116 #include "kernel_ref_includes.h"
117 #undef LJ_EWALD_COMB_LB
120 #undef VDW_CUTOFF_CHECK