Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nonbonded.c

diff --git a/src/gromacs/gmxlib/nonbonded/nonbonded.c b/src/gromacs/gmxlib/nonbonded/nonbonded.c
index ab68c47db00a6c05a02e531cb77075475fa546a9..40244b7be6cc74673687dac51aedda3885cf7490 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nonbonded.c
+++ b/src/gromacs/gmxlib/nonbonded/nonbonded.c
@@ -45,24 +45,25 @@
 
 #include "typedefs.h"
 #include "txtdump.h"
-#include "gromacs/utility/smalloc.h"
 #include "ns.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "gromacs/math/utilities.h"
 #include "macros.h"
-#include "gromacs/utility/cstringutil.h"
 #include "force.h"
 #include "names.h"
-#include "main.h"
-#include "xvgr.h"
-#include "gmx_fatal.h"
-#include "physics.h"
 #include "force.h"
 #include "bondf.h"
 #include "nrnb.h"
 #include "nonbonded.h"
 #include "gromacs/simd/simd.h"
 
+#include "gromacs/pbcutil/ishift.h"
+#include "gromacs/pbcutil/mshift.h"
+#include "gromacs/pbcutil/pbc.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"
@@ -396,7 +397,7 @@ void do_nonbonded(t_forcerec *fr,
                 nlist = nblists->nlist_sr;
                 f                                   = f_shortrange;
             }
-            else if (range == 1)
+            else
             {
                 /* Long-range */
                 if (!(flags & GMX_NONBONDED_DO_LR))