* 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 "edsam.h"
#include <stdio.h>
#include <string.h>
#include <time.h>
-#include "typedefs.h"
-#include "gromacs/utility/cstringutil.h"
-#include "gromacs/utility/smalloc.h"
-#include "names.h"
#include "gromacs/fileio/confio.h"
-#include "txtdump.h"
-#include "gromacs/math/vec.h"
-#include "nrnb.h"
-#include "mdrun.h"
-#include "update.h"
-#include "mtop_util.h"
-#include "gromacs/essentialdynamics/edsam.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/xvgr.h"
-#include "gromacs/mdlib/groupcoord.h"
-
+#include "gromacs/legacyheaders/mdrun.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/nrnb.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/update.h"
#include "gromacs/linearalgebra/nrjac.h"
-#include "pbc.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/mdlib/groupcoord.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/mtop_util.h"
+#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
/* We use the same defines as in mvdata.c here */
#define block_bc(cr, d) gmx_bcast( sizeof(d), &(d), (cr))
char fn[STRLEN];
- sprintf(fn, "EDdump_node%d_edi%d", cr->nodeid, nr_edi);
+ sprintf(fn, "EDdump_rank%d_edi%d", cr->nodeid, nr_edi);
out = gmx_ffopen(fn, "w");
fprintf(out, "#NINI\n %d\n#FITMAS\n %d\n#ANALYSIS_MAS\n %d\n",
{
srenew(names, count);
sprintf(buf, "Vfl_%d", count);
- names[count-1] = strdup(buf);
+ names[count-1] = gmx_strdup(buf);
actual = actual->next_edi;
count++;
}
sprintf(tmp, "%c %s", EDgroupchar, value);
add_to_string_aligned(LegendStr, tmp);
sprintf(tmp2, "%s (%s)", tmp, unit);
- (*setname)[*nsets] = strdup(tmp2);
+ (*setname)[*nsets] = gmx_strdup(tmp2);
(*nsets)++;
}