* the research papers on the package. Check out http://www.gromacs.org.
*/
-/*! \libinternal \file
+/*! \internal \file
*
* \brief
* Implements functions of imd.h.
*
* \author Martin Hoefling, Carsten Kutzner <ckutzne@gwdg.de>
*
- * \inlibraryapi
* \ingroup module_imd
*/
-
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
+#include "gmxpre.h"
#include "imd.h"
-#include "imdsocket.h"
-#include "smalloc.h"
-#include "network.h"
-#include "mdrun.h"
-#include "sighandler.h"
-#include "gmx_ga2la.h"
-#include "xvgr.h"
-#include "gromacs/mdlib/groupcoord.h"
-#include "gromacs/fileio/confio.h"
-#include "mtop_util.h"
-#include "names.h"
-#include "gromacs/timing/wallcycle.h"
+#include <errno.h>
#include <string.h>
+#include "config.h"
+
#ifdef GMX_NATIVE_WINDOWS
-#include <Windows.h>
+#include <windows.h>
#else
#include <unistd.h>
#endif
+#include "gromacs/fileio/confio.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/imd/imdsocket.h"
+#include "gromacs/legacyheaders/gmx_ga2la.h"
+#include "gromacs/legacyheaders/mdrun.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/sighandler.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/mdlib/groupcoord.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/timing/wallcycle.h"
+#include "gromacs/topology/mtop_util.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+
/*! \brief How long shall we wait in seconds until we check for a connection again? */
#define IMDLOOPWAIT 1
#define IMDVERSION 2
/*! \brief Broadcast d to all nodes */
-#define block_bc(cr, d) gmx_bcast( sizeof(d), &(d), (cr))
+#define block_bc(cr, d) gmx_bcast(sizeof(d), &(d), (cr))
/*! \brief Broadcast nr elements of d to all nodes */
#define nblock_bc(cr, nr, d) gmx_bcast((nr)*sizeof((d)[0]), (d), (cr))
-/*! \libinternal
+/*! \internal
* \brief
* IMD (interactive molecular dynamics) energy record.
*
} IMDEnergyBlock;
-/*! \libinternal
+/*! \internal
* \brief IMD (interactive molecular dynamics) communication structure.
*
* This structure defines the IMD communication message header & protocol version.
} IMDHeader;
-/*! \libinternal
+/*! \internal
* \brief IMD (interactive molecular dynamics) main data structure.
*
* Contains private IMD data
} t_gmx_IMD_setup;
-/*! \libinternal
+/*! \internal
* \brief Enum for types of IMD messages.
*
* We use the same records as the NAMD/VMD IMD implementation.
} IMDMessageType;
-/*! \libinternal
+/*! \internal
* \brief Names of the IMDType for error messages.
*/
const char *eIMDType_names[IMD_NR + 1] = {
imd_check_integrator_parallel(ir, cr);
- /*******************************************************/
- /** From here on we assume that IMD is turned on **/
- /*******************************************************/
+ /*
+ *****************************************************
+ * From here on we assume that IMD is turned on *
+ *****************************************************
+ */
#ifdef GMX_IMD
nat_total = top_global->natoms;