added Verlet scheme and NxN non-bonded functionality

[alexxy/gromacs.git] / include / nsgrid.h

diff --git a/include/nsgrid.h b/include/nsgrid.h
index 0c427cc5600063f6ab2a963287044979e522a827..f0785477cb884980aea2154f7dbcb43e1167ab31 100644 (file)
--- a/include/nsgrid.h
+++ b/include/nsgrid.h
@@ -50,13 +50,18 @@ extern "C" {
  * to account for less dense regions at the edges of the system.
  */
 
+#define NSGRID_SIGNAL_MOVED_FAC  4
+/* A cell index of NSGRID_SIGNAL_MOVED_FAC*ncells signals
+ * that a charge group moved to another DD domain.
+ */
+
 t_grid *init_grid(FILE *fplog,t_forcerec *fr);
 
 void done_grid(t_grid *grid);
 
-void get_nsgrid_boundaries(t_grid *grid,
-                                 gmx_domdec_t *dd,
-                                 matrix box,gmx_ddbox_t *ddbox,
+void get_nsgrid_boundaries(int nboundeddim,matrix box,
+                                 gmx_domdec_t *dd,
+                                 gmx_ddbox_t *ddbox,
                                  rvec *gr0,rvec *gr1,
                                  int ncg,rvec *cgcm,
                                  rvec grid_x0,rvec grid_x1,