Move nbnxn files to nbnxm directory

[alexxy/gromacs.git] / src / gromacs / nbnxm / kernels_reference / kernel_ref.cpp

diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.cpp b/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp
similarity index 71%
rename from src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.cpp
rename to src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp
index f267e71bf6b7472f8fd8368d315667dbbf6a36fb..e953f51e9e6cb3f88a3f7feb4187917e33094403 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.cpp
+++ b/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -34,9 +34,7 @@
  */
 #include "gmxpre.h"
 
-#include "nbnxn_kernel_ref.h"
-
-#include "config.h"
+#include "kernel_ref.h"
 
 #include <cassert>
 #include <cmath>
@@ -46,33 +44,31 @@
 #include "gromacs/math/functions.h"
 #include "gromacs/math/vec.h"
 #include "gromacs/mdlib/gmx_omp_nthreads.h"
-#include "gromacs/mdlib/nb_verlet.h"
-#include "gromacs/mdlib/nbnxn_consts.h"
 #include "gromacs/mdtypes/interaction_const.h"
 #include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/nbnxm/nbnxm.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
 
-
 /* Analytical reaction-field kernels */
 #define CALC_COUL_RF
 #define LJ_CUT
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_CUT
 #define LJ_FORCE_SWITCH
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_FORCE_SWITCH
 #define LJ_POT_SWITCH
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_POT_SWITCH
 #define LJ_EWALD
 #define LJ_CUT
 #define LJ_EWALD_COMB_GEOM
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_GEOM
 #define LJ_EWALD_COMB_LB
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_LB
 #undef LJ_CUT
 #undef LJ_EWALD
@@ -82,42 +78,42 @@
 /* Tabulated exclusion interaction electrostatics kernels */
 #define CALC_COUL_TAB
 #define LJ_CUT
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_CUT
 #define LJ_FORCE_SWITCH
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_FORCE_SWITCH
 #define LJ_POT_SWITCH
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_POT_SWITCH
 #define LJ_EWALD
 #define LJ_CUT
 #define LJ_EWALD_COMB_GEOM
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_GEOM
 #define LJ_EWALD_COMB_LB
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_LB
 #undef LJ_CUT
 #undef LJ_EWALD
 /* Twin-range cut-off kernels */
 #define VDW_CUTOFF_CHECK
 #define LJ_CUT
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_CUT
 #define LJ_FORCE_SWITCH
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_FORCE_SWITCH
 #define LJ_POT_SWITCH
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_POT_SWITCH
 #define LJ_EWALD
 #define LJ_CUT
 #define LJ_EWALD_COMB_GEOM
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_GEOM
 #define LJ_EWALD_COMB_LB
-#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_includes.h"
+#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_LB
 #undef LJ_CUT
 #undef LJ_EWALD