X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fnbnxn_search.c;h=6c1e301a0719ba0ada67042d4639c4e22487d7aa;hb=a5b355552b920746e3dda332accccabadfe37b50;hp=5e2882122d6af224fafecbd29173a88851fd13e3;hpb=7df930ee2e1d3bac7d080dfd994417c47fec94db;p=alexxy%2Fgromacs.git

diff --git a/src/gromacs/mdlib/nbnxn_search.c b/src/gromacs/mdlib/nbnxn_search.c
index 5e2882122d..6c1e301a07 100644
--- a/src/gromacs/mdlib/nbnxn_search.c
+++ b/src/gromacs/mdlib/nbnxn_search.c
@@ -35,32 +35,33 @@
 
 #include "gmxpre.h"
 
-#include "config.h"
+#include "nbnxn_search.h"
 
+#include <assert.h>
 #include <math.h>
 #include <string.h>
-#include <assert.h>
 
-#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
 #include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/nrnb.h"
+#include "gromacs/legacyheaders/ns.h"
+#include "gromacs/legacyheaders/types/commrec.h"
 #include "gromacs/math/utilities.h"
 #include "gromacs/math/vec.h"
-#include "nbnxn_consts.h"
+#include "gromacs/mdlib/nb_verlet.h"
+#include "gromacs/mdlib/nbnxn_atomdata.h"
+#include "gromacs/mdlib/nbnxn_consts.h"
+#include "gromacs/pbcutil/ishift.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/utility/smalloc.h"
+
+#include "config.h"
+
 /* nbnxn_internal.h included gromacs/simd/macros.h */
-#include "nbnxn_internal.h"
+#include "gromacs/mdlib/nbnxn_internal.h"
 #ifdef GMX_SIMD
 #include "gromacs/simd/vector_operations.h"
 #endif
-#include "nbnxn_atomdata.h"
-#include "nbnxn_search.h"
-#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
-#include "gromacs/legacyheaders/nrnb.h"
-#include "gromacs/legacyheaders/ns.h"
-
-#include "gromacs/pbcutil/ishift.h"
-#include "gromacs/mdlib/nb_verlet.h"
-#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/utility/smalloc.h"
 
 #ifdef NBNXN_SEARCH_BB_SIMD4
 /* Always use 4-wide SIMD for bounding box calculations */
@@ -2941,10 +2942,10 @@ static void make_cluster_list_simple(const nbnxn_grid_t *gridj,
 }
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "nbnxn_search_simd_4xn.h"
+#include "gromacs/mdlib/nbnxn_search_simd_4xn.h"
 #endif
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "nbnxn_search_simd_2xnn.h"
+#include "gromacs/mdlib/nbnxn_search_simd_2xnn.h"
 #endif
 
 /* Plain C or SIMD4 code for making a pair list of super-cell sci vs scj.