* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <string.h>
-#include "typedefs.h"
-#include "smalloc.h"
-#include "domdec.h"
-#include "domdec_network.h"
-#include "names.h"
-#include "network.h"
-#include "vec.h"
-#include "pbc.h"
-#include "chargegroup.h"
-#include "gromacs/random/random.h"
-#include "gromacs/gmxlib/topsort.h"
-#include "mtop_util.h"
-#include "mshift.h"
-#include "vsite.h"
-#include "gmx_ga2la.h"
-#include "force.h"
-#include "gmx_omp_nthreads.h"
+
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/domdec_network.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/chargegroup.h"
+#include "gromacs/legacyheaders/vsite.h"
+#include "gromacs/legacyheaders/gmx_ga2la.h"
+#include "gromacs/legacyheaders/force.h"
+#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
+
+#include "gromacs/math/vec.h"
+#include "gromacs/pbcutil/mshift.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/mtop_util.h"
+#include "gromacs/topology/topsort.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
/* for dd_init_local_state */
#define NITEM_DD_INIT_LOCAL_STATE 5
}
}
-static inline void add_ifunc(int nral, t_iatom *tiatoms, t_ilist *il)
+static gmx_inline void add_ifunc(int nral, t_iatom *tiatoms, t_ilist *il)
{
t_iatom *liatoms;
int k;
init_state(state_local, 0, buf[1], buf[2], buf[3], buf[4]);
state_local->flags = buf[0];
-
- /* With Langevin Dynamics we need to make proper storage space
- * in the global and local state for the random numbers.
- */
- if (state_local->flags & (1<<estLD_RNG))
- {
- if (DDMASTER(dd) && state_global->nrngi > 1)
- {
- state_global->nrng = dd->nnodes*gmx_rng_n();
- srenew(state_global->ld_rng, state_global->nrng);
- }
- state_local->nrng = gmx_rng_n();
- snew(state_local->ld_rng, state_local->nrng);
- }
- if (state_local->flags & (1<<estLD_RNGI))
- {
- if (DDMASTER(dd) && state_global->nrngi > 1)
- {
- state_global->nrngi = dd->nnodes;
- srenew(state_global->ld_rngi, state_global->nrngi);
- }
- snew(state_local->ld_rngi, 1);
- }
}
static void check_link(t_blocka *link, int cg_gl, int cg_gl_j)