Used IWYU to partially clean up some includes

[alexxy/gromacs.git] / src / programs / mdrun / md.cpp

diff --git a/src/programs/mdrun/md.cpp b/src/programs/mdrun/md.cpp
index 3b5ab113af8fac191727d64d2706759e830c6e06..e0d6fdeffa99e58d7a6e8ed6533896f81439f52d 100644 (file)
--- a/src/programs/mdrun/md.cpp
+++ b/src/programs/mdrun/md.cpp
@@ -38,47 +38,64 @@
 
 #include "config.h"
 
+#include <math.h>
+#include <stdio.h>
 #include <stdlib.h>
 
+#include "thread_mpi/threads.h"
+
 #include "gromacs/ewald/pme-load-balancing.h"
 #include "gromacs/ewald/pme.h"
-#include "gromacs/fileio/confio.h"
+#include "gromacs/fileio/filenm.h"
 #include "gromacs/fileio/mdoutf.h"
 #include "gromacs/fileio/trajectory_writing.h"
-#include "gromacs/fileio/trnio.h"
+#include "gromacs/fileio/trx.h"
 #include "gromacs/fileio/trxio.h"
-#include "gromacs/fileio/xtcio.h"
 #include "gromacs/gmxpreprocess/compute_io.h"
 #include "gromacs/imd/imd.h"
 #include "gromacs/legacyheaders/bonded-threading.h"
-#include "gromacs/legacyheaders/calcmu.h"
-#include "gromacs/legacyheaders/checkpoint.h"
 #include "gromacs/legacyheaders/constr.h"
-#include "gromacs/legacyheaders/disre.h"
 #include "gromacs/legacyheaders/domdec.h"
 #include "gromacs/legacyheaders/domdec_network.h"
+#include "gromacs/legacyheaders/ebin.h"
 #include "gromacs/legacyheaders/force.h"
 #include "gromacs/legacyheaders/md_logging.h"
 #include "gromacs/legacyheaders/md_support.h"
 #include "gromacs/legacyheaders/mdatoms.h"
 #include "gromacs/legacyheaders/mdebin.h"
 #include "gromacs/legacyheaders/mdrun.h"
-#include "gromacs/legacyheaders/names.h"
 #include "gromacs/legacyheaders/network.h"
 #include "gromacs/legacyheaders/nrnb.h"
 #include "gromacs/legacyheaders/ns.h"
-#include "gromacs/legacyheaders/orires.h"
-#include "gromacs/legacyheaders/qmmm.h"
 #include "gromacs/legacyheaders/shellfc.h"
 #include "gromacs/legacyheaders/sighandler.h"
-#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/sim_util.h"
+#include "gromacs/legacyheaders/tgroup.h"
 #include "gromacs/legacyheaders/typedefs.h"
 #include "gromacs/legacyheaders/update.h"
 #include "gromacs/legacyheaders/vcm.h"
 #include "gromacs/legacyheaders/vsite.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/legacyheaders/types/constr.h"
+#include "gromacs/legacyheaders/types/enums.h"
+#include "gromacs/legacyheaders/types/fcdata.h"
+#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/legacyheaders/types/forcerec.h"
+#include "gromacs/legacyheaders/types/globsig.h"
+#include "gromacs/legacyheaders/types/group.h"
+#include "gromacs/legacyheaders/types/inputrec.h"
+#include "gromacs/legacyheaders/types/interaction_const.h"
 #include "gromacs/legacyheaders/types/iteratedconstraints.h"
+#include "gromacs/legacyheaders/types/mdatom.h"
+#include "gromacs/legacyheaders/types/membedt.h"
 #include "gromacs/legacyheaders/types/nlistheuristics.h"
+#include "gromacs/legacyheaders/types/nrnb.h"
+#include "gromacs/legacyheaders/types/oenv.h"
+#include "gromacs/legacyheaders/types/shellfc.h"
+#include "gromacs/legacyheaders/types/state.h"
+#include "gromacs/math/utilities.h"
 #include "gromacs/math/vec.h"
+#include "gromacs/math/vectypes.h"
 #include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.h"
 #include "gromacs/pbcutil/mshift.h"
 #include "gromacs/pbcutil/pbc.h"
@@ -86,9 +103,14 @@
 #include "gromacs/swap/swapcoords.h"
 #include "gromacs/timing/wallcycle.h"
 #include "gromacs/timing/walltime_accounting.h"
+#include "gromacs/topology/atoms.h"
+#include "gromacs/topology/idef.h"
 #include "gromacs/topology/mtop_util.h"
+#include "gromacs/topology/topology.h"
+#include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/cstringutil.h"
-#include "gromacs/utility/gmxmpi.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/real.h"
 #include "gromacs/utility/smalloc.h"
 
 #include "deform.h"