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36 * Note: this file was generated by the Verlet kernel generator for
40 /* Some target architectures compile kernels for only some NBNxN
41 * kernel flavours, but the code is generated before the target
42 * architecture is known. So compilation is conditional upon
43 * GMX_NBNXN_SIMD_4XN, so that this file reduces to a stub
44 * function definition when the kernel will never be called.
48 #include "gromacs/mdlib/nbnxn_simd.h"
50 #define GMX_SIMD_J_UNROLL_SIZE 1
51 #include "gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.h"
53 #define CALC_COUL_EWALD
54 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
57 /* Use full LJ combination matrix + geometric rule for the grid correction */
61 #ifdef GMX_NBNXN_SIMD_4XN
62 #include "gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_common.h"
63 #endif /* GMX_NBNXN_SIMD_4XN */
67 nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xn(const nbnxn_pairlist_t gmx_unused
*nbl
,
68 const nbnxn_atomdata_t gmx_unused
*nbat
,
69 const interaction_const_t gmx_unused
*ic
,
70 rvec gmx_unused
*shift_vec
,
72 real gmx_unused
*fshift
,
73 real gmx_unused
*Vvdw
,
75 #else /* CALC_ENERGIES */
77 nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xn(const nbnxn_pairlist_t gmx_unused
*nbl
,
78 const nbnxn_atomdata_t gmx_unused
*nbat
,
79 const interaction_const_t gmx_unused
*ic
,
80 rvec gmx_unused
*shift_vec
,
82 real gmx_unused
*fshift
)
83 #endif /* CALC_ENERGIES */
84 #ifdef GMX_NBNXN_SIMD_4XN
85 #include "gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_outer.h"
86 #else /* GMX_NBNXN_SIMD_4XN */
88 /* No need to call gmx_incons() here, because the only function
89 * that calls this one is also compiled conditionally. When
90 * GMX_NBNXN_SIMD_4XN is not defined, it will call no kernel functions and
91 * instead call gmx_incons().
94 #endif /* GMX_NBNXN_SIMD_4XN */