src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xnn.c

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
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  35 /*
  36  * Note: this file was generated by the Verlet kernel generator for
  37  * kernel type 2xnn.
  38  */
  39
  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_2XNN, so that this file reduces to a stub
  44  * function definition when the kernel will never be called.
  45  */
  46 #define GMX_SIMD_J_UNROLL_SIZE 2
  47 #include "nbnxn_kernel_simd_2xnn.h"
  48
  49 #define CALC_COUL_TAB
  50 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
  51 #define LJ_POT_SWITCH
  52 /* Use full LJ combination matrix */
  53 /* Will not calculate energies */
  54
  55 #ifdef GMX_NBNXN_SIMD_2XNN
  56 #include "nbnxn_kernel_simd_2xnn_common.h"
  57 #endif /* GMX_NBNXN_SIMD_2XNN */
  58
  59 #ifdef CALC_ENERGIES
  60 void
  61 nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xnn(const nbnxn_pairlist_t    gmx_unused *nbl,
  62                                               const nbnxn_atomdata_t    gmx_unused *nbat,
  63                                               const interaction_const_t gmx_unused *ic,
  64                                               rvec                      gmx_unused *shift_vec,
  65                                               real                      gmx_unused *f,
  66                                               real                      gmx_unused *fshift,
  67                                               real                      gmx_unused *Vvdw,
  68                                               real                      gmx_unused *Vc)
  69 #else /* CALC_ENERGIES */
  70 void
  71 nbnxn_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xnn(const nbnxn_pairlist_t    gmx_unused *nbl,
  72                                               const nbnxn_atomdata_t    gmx_unused *nbat,
  73                                               const interaction_const_t gmx_unused *ic,
  74                                               rvec                      gmx_unused *shift_vec,
  75                                               real                      gmx_unused *f,
  76                                               real                      gmx_unused *fshift)
  77 #endif /* CALC_ENERGIES */
  78 #ifdef GMX_NBNXN_SIMD_2XNN
  79 #include "nbnxn_kernel_simd_2xnn_outer.h"
  80 #else /* GMX_NBNXN_SIMD_2XNN */
  81 {
  82 /* No need to call gmx_incons() here, because the only function
  83  * that calls this one is also compiled conditionally. When
  84  * GMX_NBNXN_SIMD_2XNN is not defined, it will call no kernel functions and
  85  * instead call gmx_incons().
  86  */
  87 }
  88 #endif /* GMX_NBNXN_SIMD_2XNN */