X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxlib%2Fnonbonded%2Fnonbonded.c;h=7bcf2a66b18337c9c75ffdaed7808e54970afdfe;hb=30692f54df98c3e8612dfdb1aa288ed51a7444b3;hp=baaf1184f238ede7a4dfee96bc253f78492f25bc;hpb=8fc4edf35c768e4669814c118bf518578637339b;p=alexxy%2Fgromacs.git

diff --git a/src/gromacs/gmxlib/nonbonded/nonbonded.c b/src/gromacs/gmxlib/nonbonded/nonbonded.c
index baaf1184f2..7bcf2a66b1 100644
--- a/src/gromacs/gmxlib/nonbonded/nonbonded.c
+++ b/src/gromacs/gmxlib/nonbonded/nonbonded.c
@@ -36,6 +36,8 @@
  */
 #include "gmxpre.h"
 
+#include "gromacs/legacyheaders/nonbonded.h"
+
 #include "config.h"
 
 #include <stdio.h>
@@ -44,61 +46,57 @@
 #include "thread_mpi/threads.h"
 
 #include "gromacs/bonded/bonded.h"
-#include "gromacs/legacyheaders/typedefs.h"
-#include "gromacs/legacyheaders/txtdump.h"
-#include "gromacs/legacyheaders/ns.h"
-#include "gromacs/math/vec.h"
-#include "gromacs/math/utilities.h"
-#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/gmxlib/nonbonded/nb_free_energy.h"
+#include "gromacs/gmxlib/nonbonded/nb_generic.h"
+#include "gromacs/gmxlib/nonbonded/nb_generic_adress.h"
+#include "gromacs/gmxlib/nonbonded/nb_generic_cg.h"
+#include "gromacs/gmxlib/nonbonded/nb_kernel.h"
 #include "gromacs/legacyheaders/force.h"
+#include "gromacs/legacyheaders/macros.h"
 #include "gromacs/legacyheaders/names.h"
-#include "gromacs/legacyheaders/force.h"
 #include "gromacs/legacyheaders/nrnb.h"
-#include "gromacs/legacyheaders/nonbonded.h"
-#include "gromacs/simd/simd.h"
-
+#include "gromacs/legacyheaders/ns.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/utilities.h"
+#include "gromacs/math/vec.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/pbcutil/mshift.h"
 #include "gromacs/pbcutil/pbc.h"
+#include "gromacs/simd/simd.h"
 #include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
 
-#include "nb_kernel.h"
-#include "nb_free_energy.h"
-#include "nb_generic.h"
-#include "nb_generic_cg.h"
-#include "nb_generic_adress.h"
-
 /* Different default (c) and SIMD instructions interaction-specific kernels */
-#include "nb_kernel_c/nb_kernel_c.h"
+#include "gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.h"
 
 #if (defined GMX_SIMD_X86_SSE2) && !(defined GMX_DOUBLE)
-#    include "nb_kernel_sse2_single/nb_kernel_sse2_single.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.h"
 #endif
 #if (defined GMX_SIMD_X86_SSE4_1) && !(defined GMX_DOUBLE)
-#    include "nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h"
 #endif
 #if (defined GMX_SIMD_X86_AVX_128_FMA) && !(defined GMX_DOUBLE)
-#    include "nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.h"
 #endif
 #if (defined GMX_SIMD_X86_AVX_256_OR_HIGHER) && !(defined GMX_DOUBLE)
-#    include "nb_kernel_avx_256_single/nb_kernel_avx_256_single.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_avx_256_single.h"
 #endif
 #if (defined GMX_SIMD_X86_SSE2 && defined GMX_DOUBLE)
-#    include "nb_kernel_sse2_double/nb_kernel_sse2_double.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_sse2_double.h"
 #endif
 #if (defined GMX_SIMD_X86_SSE4_1 && defined GMX_DOUBLE)
-#    include "nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.h"
 #endif
 #if (defined GMX_SIMD_X86_AVX_128_FMA && defined GMX_DOUBLE)
-#    include "nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.h"
 #endif
 #if (defined GMX_SIMD_X86_AVX_256_OR_HIGHER && defined GMX_DOUBLE)
-#    include "nb_kernel_avx_256_double/nb_kernel_avx_256_double.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.h"
 #endif
 #if (defined GMX_SIMD_SPARC64_HPC_ACE && defined GMX_DOUBLE)
-#    include "nb_kernel_sparc64_hpc_ace_double/nb_kernel_sparc64_hpc_ace_double.h"
+#    include "gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_sparc64_hpc_ace_double.h"
 #endif