* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
-#include "typedefs.h"
-#include "gromacs/utility/smalloc.h"
-#include "sysstuff.h"
-#include "vec.h"
-#include "sim_util.h"
-#include "mdrun.h"
-#include "confio.h"
#include "trajectory_writing.h"
-#include "mdoutf.h"
+#include "gromacs/fileio/confio.h"
+#include "gromacs/fileio/mdoutf.h"
+#include "gromacs/legacyheaders/mdrun.h"
+#include "gromacs/legacyheaders/sim_util.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/math/vec.h"
#include "gromacs/timing/wallcycle.h"
+#include "gromacs/utility/smalloc.h"
void
do_md_trajectory_writing(FILE *fplog,
gmx_ekindata_t *ekind,
rvec *f,
rvec *f_global,
- gmx_wallcycle_t wcycle,
int *nchkpt,
gmx_bool bCPT,
gmx_bool bRerunMD,
if (mdof_flags != 0)
{
- wallcycle_start(wcycle, ewcTRAJ);
+ wallcycle_start(mdoutf_get_wcycle(outf), ewcTRAJ);
if (bCPT)
{
if (MASTER(cr))
if (bCPT)
{
(*nchkpt)++;
- bCPT = FALSE;
}
debug_gmx();
if (bLastStep && step_rel == ir->nsteps &&
ir->ePBC, state->box);
debug_gmx();
}
- wallcycle_stop(wcycle, ewcTRAJ);
+ wallcycle_stop(mdoutf_get_wcycle(outf), ewcTRAJ);
}
}