Sort all includes in src/gromacs

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

diff --git a/src/gromacs/mdlib/forcerec.c b/src/gromacs/mdlib/forcerec.c
index 8913bcb8043a71ebd6864633415255906ebcb282..68edaad1c1d50322aa00e3fd33f83625bd8ba092 100644 (file)
--- a/src/gromacs/mdlib/forcerec.c
+++ b/src/gromacs/mdlib/forcerec.c
@@ -34,52 +34,51 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
+#include "gmxpre.h"
+
 #include "config.h"
 
 #include <assert.h>
 #include <math.h>
 #include <string.h>
 
-#include "gromacs/legacyheaders/typedefs.h"
-#include "gromacs/legacyheaders/types/commrec.h"
-#include "gromacs/math/vec.h"
-#include "gromacs/math/utilities.h"
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/math/units.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/coulomb.h"
+#include "gromacs/legacyheaders/domdec.h"
 #include "gromacs/legacyheaders/force.h"
-#include "gromacs/legacyheaders/tables.h"
-#include "gromacs/legacyheaders/nonbonded.h"
+#include "gromacs/legacyheaders/gmx_detect_hardware.h"
+#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
+#include "gromacs/legacyheaders/gpu_utils.h"
+#include "gromacs/legacyheaders/inputrec.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/md_logging.h"
+#include "gromacs/legacyheaders/md_support.h"
 #include "gromacs/legacyheaders/names.h"
 #include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/nonbonded.h"
 #include "gromacs/legacyheaders/ns.h"
-#include "gromacs/legacyheaders/txtdump.h"
-#include "gromacs/legacyheaders/coulomb.h"
-#include "gromacs/legacyheaders/md_support.h"
-#include "gromacs/legacyheaders/md_logging.h"
-#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/pmalloc_cuda.h"
 #include "gromacs/legacyheaders/qmmm.h"
-#include "gromacs/legacyheaders/copyrite.h"
-#include "gromacs/topology/mtop_util.h"
-#include "nbnxn_simd.h"
-#include "nbnxn_search.h"
-#include "nbnxn_atomdata.h"
-#include "nbnxn_consts.h"
-#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
-#include "gromacs/legacyheaders/gmx_detect_hardware.h"
-#include "gromacs/legacyheaders/inputrec.h"
-
+#include "gromacs/legacyheaders/tables.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/legacyheaders/types/nbnxn_cuda_types_ext.h"
+#include "gromacs/math/units.h"
+#include "gromacs/math/utilities.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/mdlib/nb_verlet.h"
+#include "gromacs/mdlib/nbnxn_atomdata.h"
+#include "gromacs/mdlib/nbnxn_consts.h"
+#include "gromacs/mdlib/nbnxn_search.h"
+#include "gromacs/mdlib/nbnxn_simd.h"
+#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/mtop_util.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
 
-#include "gromacs/legacyheaders/types/nbnxn_cuda_types_ext.h"
-#include "gromacs/legacyheaders/gpu_utils.h"
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.h"
-#include "gromacs/legacyheaders/pmalloc_cuda.h"
-#include "nb_verlet.h"
-
 t_forcerec *mk_forcerec(void)
 {
     t_forcerec *fr;
@@ -583,10 +582,6 @@ check_solvent(FILE  *                fp,
         bestsol = esolNO;
     }
 
-#ifdef DISABLE_WATER_NLIST
-    bestsol = esolNO;
-#endif
-
     fr->nWatMol = 0;
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {