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 * This file is part of the GROMACS molecular simulation package.
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 * Copyright 2012- The GROMACS Authors
 * and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
 * Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
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 */

#include "gromacs/gpu_utils/cuda_arch_utils.cuh"

/*! \internal \file
 *  This header has the sole purpose of generating kernels for the combinations of
 *  supported electrostatics types (cut-off, reaction-field, analytical and
 *  tabulated Ewald) and VDW types (cut-off + V shift, LJ-Ewald with
 *  geometric or Lorentz-Berthelot combination rule, F switch, V switch).
 *
 *  The Ewald kernels have twin-range cut-off versions with rcoul != rvdw which
 *  require an extra distance check to enable  PP-PME load balancing
 *  (otherwise, by default rcoul == rvdw).
 *
 *  NOTE: No include fence as it is meant to be included multiple times.
 *
 *  \author Szilárd Páll <pall.szilard@gmail.com>
 *  \author Berk Hess <hess@kth.se>
 *  \ingroup module_nbnxm
 */

/* Analytical plain cut-off electrostatics kernels
 */
#define EL_CUTOFF

/* cut-off + V shift LJ */
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJ##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#define LJ_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#define LJ_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#define LJ_EWALD_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJEwCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#define LJ_EWALD_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJEwCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#define LJ_FORCE_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJFsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_FORCE_SWITCH
#undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#define LJ_POT_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJPsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_POT_SWITCH
#undef NB_KERNEL_FUNC_NAME

#undef EL_CUTOFF


/* Analytical reaction-field kernels
 */
#define EL_RF

/* cut-off + V shift LJ */
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJ##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#define LJ_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#define LJ_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#define LJ_EWALD_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJEwCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#define LJ_EWALD_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJEwCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#define LJ_FORCE_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJFsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_FORCE_SWITCH
#undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#define LJ_POT_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJPsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_POT_SWITCH
#undef NB_KERNEL_FUNC_NAME

#undef EL_RF


/* Analytical Ewald interaction kernels
 */
#define EL_EWALD_ANA

/* cut-off + V shift LJ */
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJ##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#define LJ_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#define LJ_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#define LJ_EWALD_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJEwCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#define LJ_EWALD_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJEwCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#define LJ_FORCE_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJFsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_FORCE_SWITCH
#undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#define LJ_POT_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJPsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_POT_SWITCH
#undef NB_KERNEL_FUNC_NAME

#undef EL_EWALD_ANA


/* Analytical Ewald interaction kernels with twin-range cut-off
 */
#define EL_EWALD_ANA
#define VDW_CUTOFF_CHECK

/* cut-off + V shift LJ */
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJ##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#define LJ_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#define LJ_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#define LJ_EWALD_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJEwCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#define LJ_EWALD_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJEwCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#define LJ_FORCE_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJFsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_FORCE_SWITCH
#undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#define LJ_POT_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJPsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_POT_SWITCH
#undef NB_KERNEL_FUNC_NAME

#undef EL_EWALD_ANA
#undef VDW_CUTOFF_CHECK


/* Tabulated Ewald interaction kernels */
#define EL_EWALD_TAB

/* cut-off + V shift LJ */
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJ##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#define LJ_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#define LJ_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#define LJ_EWALD_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJEwCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#define LJ_EWALD_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJEwCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#define LJ_FORCE_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJFsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_FORCE_SWITCH
#undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#define LJ_POT_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJPsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_POT_SWITCH
#undef NB_KERNEL_FUNC_NAME

#undef EL_EWALD_TAB


/* Tabulated Ewald interaction kernels with twin-range cut-off */
#define EL_EWALD_TAB
#define VDW_CUTOFF_CHECK

/* cut-off + V shift LJ */
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJ##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#define LJ_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#define LJ_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#define LJ_EWALD_COMB_GEOM
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJEwCombGeom##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_GEOM
#undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#define LJ_EWALD_COMB_LB
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJEwCombLB##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_EWALD_COMB_LB
#undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#define LJ_FORCE_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJFsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_FORCE_SWITCH
#undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#define LJ_POT_SWITCH
#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJPsw##__VA_ARGS__
#include "nbnxm_cuda_kernel.cuh"
#undef LJ_POT_SWITCH
#undef NB_KERNEL_FUNC_NAME

#undef EL_EWALD_TAB
#undef VDW_CUTOFF_CHECK


#if GMX_USE_EXT_FMM
/* No electrostatics (e.g., FMM handles it); only VdW interactions generated
 */

#    define VDW_CUTOFF_CHECK

/* cut-off + V shift LJ */
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJ##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w geometric combination rules */
#    define LJ_COMB_GEOM
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJCombGeom##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef LJ_COMB_GEOM
#    undef NB_KERNEL_FUNC_NAME
/* cut-off + V shift LJ w LB combination rules */
#    define LJ_COMB_LB
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJCombLB##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef LJ_COMB_LB
#    undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w geometric combination rules */
#    define LJ_EWALD_COMB_GEOM
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJEwCombGeom##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef LJ_EWALD_COMB_GEOM
#    undef NB_KERNEL_FUNC_NAME
/* LJ-Ewald w LB combination rules */
#    define LJ_EWALD_COMB_LB
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJEwCombLB##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef LJ_EWALD_COMB_LB
#    undef NB_KERNEL_FUNC_NAME
/* F switch LJ */
#    define LJ_FORCE_SWITCH
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJFsw##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef LJ_FORCE_SWITCH
#    undef NB_KERNEL_FUNC_NAME
/* V switch LJ */
#    define LJ_POT_SWITCH
#    define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecNone_VdwLJPsw##__VA_ARGS__
#    include "nbnxm_cuda_kernel.cuh"
#    undef LJ_POT_SWITCH
#    undef NB_KERNEL_FUNC_NAME

#    undef VDW_CUTOFF_CHECK

#endif /* GMX_USE_EXT_FMM */
