src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_includes.h

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  32
  33 /* This files includes all x86 SIMD kernel flavors.
  34  * Only the Electrostatics type and optionally the VdW cut-off check
  35  * need to be set before including this file.
  36  */
  37
  38 /* Include the force+energy kernels */
  39 #define CALC_ENERGIES
  40 #define LJ_COMB_GEOM
  41 #include "nbnxn_kernel_x86_simd_outer.h"
  42 #undef LJ_COMB_GEOM
  43 #define LJ_COMB_LB
  44 #include "nbnxn_kernel_x86_simd_outer.h"
  45 #undef LJ_COMB_LB
  46 #include "nbnxn_kernel_x86_simd_outer.h"
  47 #undef CALC_ENERGIES
  48
  49 /* Include the force+energygroups kernels */
  50 #define CALC_ENERGIES
  51 #define ENERGY_GROUPS
  52 #define LJ_COMB_GEOM
  53 #include "nbnxn_kernel_x86_simd_outer.h"
  54 #undef LJ_COMB_GEOM
  55 #define LJ_COMB_LB
  56 #include "nbnxn_kernel_x86_simd_outer.h"
  57 #undef LJ_COMB_LB
  58 #include "nbnxn_kernel_x86_simd_outer.h"
  59 #undef ENERGY_GROUPS
  60 #undef CALC_ENERGIES
  61
  62 /* Include the force only kernels */
  63 #define LJ_COMB_GEOM
  64 #include "nbnxn_kernel_x86_simd_outer.h"
  65 #undef LJ_COMB_GEOM
  66 #define LJ_COMB_LB
  67 #include "nbnxn_kernel_x86_simd_outer.h"
  68 #undef LJ_COMB_LB
  69 #include "nbnxn_kernel_x86_simd_outer.h"