/* main molecular dynamics api */
#include "moldyn.h"
-/* elements */
-#include "pse.h"
-
/* list api */
#include "list/list.h"
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;
#define INS_TOTAL 0x01
#define INS_REGION 0x02
+#define INS_POS 0x03
typedef struct s_continue_params {
int runs;