extern "C" {
#endif
-void do_edsam(t_inputrec *ir,gmx_large_int_t step,t_mdatoms *md,
+void do_edsam(t_inputrec *ir,gmx_large_int_t step,
t_commrec *cr,rvec xs[],rvec v[],matrix box,gmx_edsam_t ed);
/* Essential dynamics constraints, called from constrain() */
-gmx_edsam_t ed_open(int nfile,const t_filenm fnm[],unsigned long Flags,t_commrec *cr);
-/* Sets the ED input/output filenames, opens output (.edo) file */
+gmx_edsam_t ed_open(int natoms, edsamstate_t *EDstate, int nfile,const t_filenm fnm[],
+ unsigned long Flags, const output_env_t oenv, t_commrec *cr);
+/* Sets the ED input/output filenames, opens output file */
void init_edsam(gmx_mtop_t *mtop,t_inputrec *ir,t_commrec *cr,
- gmx_edsam_t ed, rvec x[], matrix box);
+ gmx_edsam_t ed, rvec x[], matrix box, edsamstate_t *edsamstate);
/* Init routine for ED and flooding. Calls init_edi in a loop for every .edi-cycle
* contained in the input file, creates a NULL terminated list of t_edpar structures */
/* Make a selection of the home atoms for the ED groups.
* Should be called at every domain decomposition. */
-void do_flood(FILE *log, t_commrec *cr, rvec x[],rvec force[], gmx_edsam_t ed,
+void do_flood(t_commrec *cr, t_inputrec *ir, rvec x[],rvec force[], gmx_edsam_t ed,
matrix box, gmx_large_int_t step, gmx_bool bNS);
/* Flooding - called from do_force() */