Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / mdlib / forcerec.c

diff --git a/src/gromacs/mdlib/forcerec.c b/src/gromacs/mdlib/forcerec.c
index fa66ca664b6ffe981ae8fbaca3ad163f29ab40dc..d011a7a845e83781bcf75fe123c6760331b1d3a4 100644 (file)
--- a/src/gromacs/mdlib/forcerec.c
+++ b/src/gromacs/mdlib/forcerec.c
@@ -38,28 +38,23 @@
 #include <config.h>
 #endif
 
+#include <assert.h>
 #include <math.h>
 #include <string.h>
-#include <assert.h>
-#include "sysstuff.h"
+
 #include "typedefs.h"
 #include "types/commrec.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "gromacs/math/utilities.h"
 #include "macros.h"
-#include "gromacs/utility/smalloc.h"
 #include "macros.h"
-#include "gmx_fatal.h"
-#include "physics.h"
+#include "gromacs/math/units.h"
 #include "force.h"
 #include "tables.h"
 #include "nonbonded.h"
-#include "invblock.h"
 #include "names.h"
 #include "network.h"
-#include "pbc.h"
 #include "ns.h"
-#include "mshift.h"
 #include "txtdump.h"
 #include "coulomb.h"
 #include "md_support.h"
@@ -67,7 +62,7 @@
 #include "domdec.h"
 #include "qmmm.h"
 #include "copyrite.h"
-#include "mtop_util.h"
+#include "gromacs/topology/mtop_util.h"
 #include "nbnxn_simd.h"
 #include "nbnxn_search.h"
 #include "nbnxn_atomdata.h"
@@ -76,6 +71,11 @@
 #include "gmx_detect_hardware.h"
 #include "inputrec.h"
 
+#include "gromacs/pbcutil/ishift.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+
 #include "types/nbnxn_cuda_types_ext.h"
 #include "gpu_utils.h"
 #include "nbnxn_cuda_data_mgmt.h"