Introduce SimulatorBuilder
[gromacs.git] / src / gromacs / nbnxm / kernels_simd_4xm / kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
blob86844e2cb04ff9b5bcc5de53f35ddd90f1f11851
1 /*
2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2012,2013,2014,2015,2019, 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
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
36 * Note: this file was generated by the Verlet kernel generator for
37 * kernel type 4xm.
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.
46 #include "gmxpre.h"
48 #include "gromacs/mdtypes/interaction_const.h"
49 #include "gromacs/nbnxm/nbnxm_simd.h"
51 #define GMX_SIMD_J_UNROLL_SIZE 1
52 #include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
54 #define CALC_COUL_EWALD
55 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
56 #define LJ_CUT
57 #define LJ_COMB_LB
58 #define CALC_ENERGIES
59 #define ENERGY_GROUPS
61 #ifdef GMX_NBNXN_SIMD_4XN
62 #include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
63 #endif /* GMX_NBNXN_SIMD_4XN */
65 #ifdef CALC_ENERGIES
66 void
67 nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu gmx_unused *nbl,
68 const nbnxn_atomdata_t gmx_unused *nbat,
69 const interaction_const_t gmx_unused *ic,
70 const rvec gmx_unused *shift_vec,
71 nbnxn_atomdata_output_t gmx_unused *out)
72 #else /* CALC_ENERGIES */
73 void
74 nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu gmx_unused *nbl,
75 const nbnxn_atomdata_t gmx_unused *nbat,
76 const interaction_const_t gmx_unused *ic,
77 const rvec gmx_unused *shift_vec,
78 nbnxn_atomdata_output_t gmx_unused *out)
79 #endif /* CALC_ENERGIES */
80 #ifdef GMX_NBNXN_SIMD_4XN
81 #include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
82 #else /* GMX_NBNXN_SIMD_4XN */
84 /* No need to call gmx_incons() here, because the only function
85 * that calls this one is also compiled conditionally. When
86 * GMX_NBNXN_SIMD_4XN is not defined, it will call no kernel functions and
87 * instead call gmx_incons().
90 #endif /* GMX_NBNXN_SIMD_4XN */