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36 * Note: this file was generated by the Verlet kernel generator for
41 #include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_common.h"
43 /* Declare all the different kernel functions.
45 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJCombGeom_VgrpF_4xn;
46 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJCombLB_VgrpF_4xn;
47 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJ_VgrpF_4xn;
48 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJFSw_VgrpF_4xn;
49 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJPSw_VgrpF_4xn;
50 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_4xn;
51 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_4xn;
52 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJCombLB_VgrpF_4xn;
53 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJ_VgrpF_4xn;
54 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJFSw_VgrpF_4xn;
55 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJPSw_VgrpF_4xn;
56 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_4xn;
57 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_4xn;
58 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_4xn;
59 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_4xn;
60 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_4xn;
61 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_4xn;
62 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_4xn;
63 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJCombGeom_VgrpF_4xn;
64 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn;
65 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJ_VgrpF_4xn;
66 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJFSw_VgrpF_4xn;
67 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJPSw_VgrpF_4xn;
68 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_4xn;
69 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_4xn;
70 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn;
71 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJ_VgrpF_4xn;
72 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_4xn;
73 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_4xn;
74 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xn;
76 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn;
77 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJCombLB_VF_4xn;
78 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJ_VF_4xn;
79 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJFSw_VF_4xn;
80 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJPSw_VF_4xn;
81 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_4xn;
82 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_4xn;
83 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJCombLB_VF_4xn;
84 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJ_VF_4xn;
85 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJFSw_VF_4xn;
86 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJPSw_VF_4xn;
87 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VF_4xn;
88 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_4xn;
89 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_4xn;
90 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_4xn;
91 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_4xn;
92 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_4xn;
93 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_4xn;
94 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJCombGeom_VF_4xn;
95 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJCombLB_VF_4xn;
96 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJ_VF_4xn;
97 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJFSw_VF_4xn;
98 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJPSw_VF_4xn;
99 nbk_func_ener nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VF_4xn;
100 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_4xn;
101 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VF_4xn;
102 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJ_VF_4xn;
103 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_VF_4xn;
104 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJPSw_VF_4xn;
105 nbk_func_ener nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_4xn;
107 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn;
108 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJCombLB_F_4xn;
109 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJ_F_4xn;
110 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJFSw_F_4xn;
111 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJPSw_F_4xn;
112 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_4xn;
113 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJCombGeom_F_4xn;
114 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_4xn;
115 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn;
116 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJFSw_F_4xn;
117 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJPSw_F_4xn;
118 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_F_4xn;
119 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_4xn;
120 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_4xn;
121 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_4xn;
122 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJFSw_F_4xn;
123 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_F_4xn;
124 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_4xn;
125 nbk_func_noener nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn;
126 nbk_func_noener nbnxn_kernel_ElecEw_VdwLJCombLB_F_4xn;
127 nbk_func_noener nbnxn_kernel_ElecEw_VdwLJ_F_4xn;
128 nbk_func_noener nbnxn_kernel_ElecEw_VdwLJFSw_F_4xn;
129 nbk_func_noener nbnxn_kernel_ElecEw_VdwLJPSw_F_4xn;
130 nbk_func_noener nbnxn_kernel_ElecEw_VdwLJEwCombGeom_F_4xn;
131 nbk_func_noener nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_F_4xn;
132 nbk_func_noener nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_F_4xn;
133 nbk_func_noener nbnxn_kernel_ElecEwTwinCut_VdwLJ_F_4xn;
134 nbk_func_noener nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_4xn;
135 nbk_func_noener nbnxn_kernel_ElecEwTwinCut_VdwLJPSw_F_4xn;
136 nbk_func_noener nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_4xn;
140 #ifdef INCLUDE_KERNELFUNCTION_TABLES
142 /* Declare and define the kernel function pointer lookup tables.
143 * The minor index of the array goes over both the LJ combination rules,
144 * which is only supported by plain cut-off, and the LJ switch/PME functions.
146 p_nbk_func_noener nbnxn_kernel_noener_simd_4xn[coulktNR][vdwktNR] =
149 nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn,
150 nbnxn_kernel_ElecRF_VdwLJCombLB_F_4xn,
151 nbnxn_kernel_ElecRF_VdwLJ_F_4xn,
152 nbnxn_kernel_ElecRF_VdwLJFSw_F_4xn,
153 nbnxn_kernel_ElecRF_VdwLJPSw_F_4xn,
154 nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_4xn,
157 nbnxn_kernel_ElecQSTab_VdwLJCombGeom_F_4xn,
158 nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_4xn,
159 nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn,
160 nbnxn_kernel_ElecQSTab_VdwLJFSw_F_4xn,
161 nbnxn_kernel_ElecQSTab_VdwLJPSw_F_4xn,
162 nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_F_4xn,
165 nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_4xn,
166 nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_4xn,
167 nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_4xn,
168 nbnxn_kernel_ElecQSTabTwinCut_VdwLJFSw_F_4xn,
169 nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_F_4xn,
170 nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_4xn,
173 nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn,
174 nbnxn_kernel_ElecEw_VdwLJCombLB_F_4xn,
175 nbnxn_kernel_ElecEw_VdwLJ_F_4xn,
176 nbnxn_kernel_ElecEw_VdwLJFSw_F_4xn,
177 nbnxn_kernel_ElecEw_VdwLJPSw_F_4xn,
178 nbnxn_kernel_ElecEw_VdwLJEwCombGeom_F_4xn,
181 nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_F_4xn,
182 nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_F_4xn,
183 nbnxn_kernel_ElecEwTwinCut_VdwLJ_F_4xn,
184 nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_4xn,
185 nbnxn_kernel_ElecEwTwinCut_VdwLJPSw_F_4xn,
186 nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_4xn,
190 p_nbk_func_ener nbnxn_kernel_ener_simd_4xn[coulktNR][vdwktNR] =
193 nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn,
194 nbnxn_kernel_ElecRF_VdwLJCombLB_VF_4xn,
195 nbnxn_kernel_ElecRF_VdwLJ_VF_4xn,
196 nbnxn_kernel_ElecRF_VdwLJFSw_VF_4xn,
197 nbnxn_kernel_ElecRF_VdwLJPSw_VF_4xn,
198 nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_4xn,
201 nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_4xn,
202 nbnxn_kernel_ElecQSTab_VdwLJCombLB_VF_4xn,
203 nbnxn_kernel_ElecQSTab_VdwLJ_VF_4xn,
204 nbnxn_kernel_ElecQSTab_VdwLJFSw_VF_4xn,
205 nbnxn_kernel_ElecQSTab_VdwLJPSw_VF_4xn,
206 nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VF_4xn,
209 nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_4xn,
210 nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_4xn,
211 nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_4xn,
212 nbnxn_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_4xn,
213 nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_4xn,
214 nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_4xn,
217 nbnxn_kernel_ElecEw_VdwLJCombGeom_VF_4xn,
218 nbnxn_kernel_ElecEw_VdwLJCombLB_VF_4xn,
219 nbnxn_kernel_ElecEw_VdwLJ_VF_4xn,
220 nbnxn_kernel_ElecEw_VdwLJFSw_VF_4xn,
221 nbnxn_kernel_ElecEw_VdwLJPSw_VF_4xn,
222 nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VF_4xn,
225 nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_4xn,
226 nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VF_4xn,
227 nbnxn_kernel_ElecEwTwinCut_VdwLJ_VF_4xn,
228 nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_VF_4xn,
229 nbnxn_kernel_ElecEwTwinCut_VdwLJPSw_VF_4xn,
230 nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_4xn,
234 p_nbk_func_ener nbnxn_kernel_energrp_simd_4xn[coulktNR][vdwktNR] =
237 nbnxn_kernel_ElecRF_VdwLJCombGeom_VgrpF_4xn,
238 nbnxn_kernel_ElecRF_VdwLJCombLB_VgrpF_4xn,
239 nbnxn_kernel_ElecRF_VdwLJ_VgrpF_4xn,
240 nbnxn_kernel_ElecRF_VdwLJFSw_VgrpF_4xn,
241 nbnxn_kernel_ElecRF_VdwLJPSw_VgrpF_4xn,
242 nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_4xn,
245 nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_4xn,
246 nbnxn_kernel_ElecQSTab_VdwLJCombLB_VgrpF_4xn,
247 nbnxn_kernel_ElecQSTab_VdwLJ_VgrpF_4xn,
248 nbnxn_kernel_ElecQSTab_VdwLJFSw_VgrpF_4xn,
249 nbnxn_kernel_ElecQSTab_VdwLJPSw_VgrpF_4xn,
250 nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_4xn,
253 nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_4xn,
254 nbnxn_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_4xn,
255 nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_4xn,
256 nbnxn_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_4xn,
257 nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_4xn,
258 nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_4xn,
261 nbnxn_kernel_ElecEw_VdwLJCombGeom_VgrpF_4xn,
262 nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn,
263 nbnxn_kernel_ElecEw_VdwLJ_VgrpF_4xn,
264 nbnxn_kernel_ElecEw_VdwLJFSw_VgrpF_4xn,
265 nbnxn_kernel_ElecEw_VdwLJPSw_VgrpF_4xn,
266 nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_4xn,
269 nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_4xn,
270 nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn,
271 nbnxn_kernel_ElecEwTwinCut_VdwLJ_VgrpF_4xn,
272 nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_4xn,
273 nbnxn_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_4xn,
274 nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xn,
279 #endif /* INCLUDE_KERNELFUNCTION_TABLES */