Merge release-5-0 into master

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

diff --git a/src/gromacs/mdlib/qm_gaussian.c b/src/gromacs/mdlib/qm_gaussian.c
index e7422941aed503572f6d2900777cb609aeaf63a3..61a97056385b1db361cb69ffd6178a1138298685 100644 (file)
--- a/src/gromacs/mdlib/qm_gaussian.c
+++ b/src/gromacs/mdlib/qm_gaussian.c
@@ -41,30 +41,25 @@
 #ifdef GMX_QMMM_GAUSSIAN
 
 #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"
 
 
 /* TODO: this should be made thread-safe */