Merge release-5-0 into master

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

diff --git a/src/gromacs/mdlib/qm_orca.c b/src/gromacs/mdlib/qm_orca.c
index 7dbee944afdbf4dc7ee22bf097f5bb460a42f581..2b4912d073168ae873f0f04a2a862ad23f8e1793 100644 (file)
--- a/src/gromacs/mdlib/qm_orca.c
+++ b/src/gromacs/mdlib/qm_orca.c
@@ -39,30 +39,25 @@
 #endif
 
 #include <math.h>
-#include "sysstuff.h"
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+
 #include "typedefs.h"
 #include "macros.h"
 #include "gromacs/utility/smalloc.h"
-#include "physics.h"
-#include "macros.h"
-#include "vec.h"
+#include "gromacs/math/units.h"
+#include "gromacs/math/vec.h"
 #include "force.h"
-#include "invblock.h"
 #include "gromacs/fileio/confio.h"
 #include "names.h"
 #include "network.h"
-#include "pbc.h"
 #include "ns.h"
 #include "nrnb.h"
 #include "bondf.h"
-#include "mshift.h"
 #include "txtdump.h"
 #include "qmmm.h"
-#include <stdio.h>
-#include <string.h>
-#include "gmx_fatal.h"
-#include "typedefs.h"
-#include <stdlib.h>
+#include "gromacs/utility/fatalerror.h"
 
 /* ORCA interface routines */