X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;ds=inline;f=mdrun.h;h=ad5c0c2405144d7d8a69f3c44c204338e6a5dc90;hb=a58211f24f237b51e708b9e8b9fd463a709754a6;hp=20d68d7f5aae59cd3d44fbc3b99154267eec7056;hpb=3592f3b0cf641729566674a7cdfd8eff3f61f59a;p=physik%2Fposic.git

diff --git a/mdrun.h b/mdrun.h
index 20d68d7..ad5c0c2 100644
--- a/mdrun.h
+++ b/mdrun.h
@@ -18,9 +18,6 @@
 /* main molecular dynamics api */
 #include "moldyn.h"
 
-/* elements */
-#include "pse.h"
-
 /* list api */
 #include "list/list.h"
 
@@ -57,8 +54,9 @@ typedef struct s_mdrun {
 	double timestep;			// timestep
 
 	u8 potential;				// potential
-
 	double cutoff;				// cutoff radius
+	double nnd;				// next neighbour distance
+
 	t_3dvec dim;				// simulation volume
 	u8 pbcx;				// periodic boundary conditions
 	u8 pbcy;
@@ -115,6 +113,7 @@ typedef struct s_insert_atoms_params {
 
 #define INS_TOTAL				0x01
 #define INS_REGION				0x02
+#define INS_POS					0x03
 
 typedef struct s_continue_params {
 	int runs;