X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fprograms%2Fmdrun%2Frunner.cpp;h=c9b47b7e5441641de1cff7a382a6729e62183aaa;hb=6d1bc0a87809729252a3e706b6ff24c9df35c57f;hp=864b2b729e6e2a2d462e0638b6d36a35ed75120e;hpb=30692f54df98c3e8612dfdb1aa288ed51a7444b3;p=alexxy%2Fgromacs.git diff --git a/src/programs/mdrun/runner.cpp b/src/programs/mdrun/runner.cpp index 864b2b729e..c9b47b7e54 100644 --- a/src/programs/mdrun/runner.cpp +++ b/src/programs/mdrun/runner.cpp @@ -39,61 +39,61 @@ #include "config.h" -#include - #include #include #include #include + +#include #ifdef HAVE_UNISTD_H #include #endif -#include "gromacs/legacyheaders/typedefs.h" -#include "gromacs/legacyheaders/oenv.h" +#include "gromacs/essentialdynamics/edsam.h" +#include "gromacs/fileio/tpxio.h" +#include "gromacs/gmxpreprocess/calc_verletbuf.h" +#include "gromacs/legacyheaders/checkpoint.h" +#include "gromacs/legacyheaders/constr.h" +#include "gromacs/legacyheaders/coulomb.h" +#include "gromacs/legacyheaders/disre.h" +#include "gromacs/legacyheaders/domdec.h" #include "gromacs/legacyheaders/force.h" -#include "gromacs/legacyheaders/mdrun.h" +#include "gromacs/legacyheaders/gmx_detect_hardware.h" +#include "gromacs/legacyheaders/gmx_omp_nthreads.h" +#include "gromacs/legacyheaders/gmx_thread_affinity.h" +#include "gromacs/legacyheaders/inputrec.h" +#include "gromacs/legacyheaders/main.h" #include "gromacs/legacyheaders/md_logging.h" #include "gromacs/legacyheaders/md_support.h" -#include "gromacs/legacyheaders/network.h" +#include "gromacs/legacyheaders/mdatoms.h" +#include "gromacs/legacyheaders/mdrun.h" +#include "gromacs/legacyheaders/mvdata.h" #include "gromacs/legacyheaders/names.h" -#include "gromacs/legacyheaders/disre.h" +#include "gromacs/legacyheaders/network.h" +#include "gromacs/legacyheaders/oenv.h" #include "gromacs/legacyheaders/orires.h" #include "gromacs/legacyheaders/pme.h" -#include "gromacs/legacyheaders/mdatoms.h" -#include "repl_ex.h" -#include "deform.h" #include "gromacs/legacyheaders/qmmm.h" -#include "gromacs/legacyheaders/domdec.h" -#include "gromacs/legacyheaders/coulomb.h" -#include "gromacs/legacyheaders/constr.h" -#include "gromacs/legacyheaders/mvdata.h" -#include "gromacs/legacyheaders/checkpoint.h" -#include "gromacs/topology/mtop_util.h" #include "gromacs/legacyheaders/sighandler.h" #include "gromacs/legacyheaders/txtdump.h" -#include "gromacs/legacyheaders/gmx_detect_hardware.h" -#include "gromacs/legacyheaders/gmx_omp_nthreads.h" -#include "gromacs/gmxpreprocess/calc_verletbuf.h" -#include "membed.h" -#include "gromacs/legacyheaders/gmx_thread_affinity.h" -#include "gromacs/legacyheaders/inputrec.h" -#include "gromacs/legacyheaders/main.h" - -#include "gromacs/essentialdynamics/edsam.h" -#include "gromacs/fileio/tpxio.h" +#include "gromacs/legacyheaders/typedefs.h" #include "gromacs/math/vec.h" -#include "gromacs/mdlib/nbnxn_search.h" #include "gromacs/mdlib/nbnxn_consts.h" +#include "gromacs/mdlib/nbnxn_search.h" #include "gromacs/pbcutil/pbc.h" #include "gromacs/pulling/pull.h" #include "gromacs/pulling/pull_rotation.h" #include "gromacs/swap/swapcoords.h" #include "gromacs/timing/wallcycle.h" +#include "gromacs/topology/mtop_util.h" #include "gromacs/utility/gmxassert.h" #include "gromacs/utility/gmxmpi.h" #include "gromacs/utility/smalloc.h" +#include "deform.h" +#include "membed.h" +#include "repl_ex.h" + #ifdef GMX_FAHCORE #include "corewrap.h" #endif