double x,y,z; /* the actual cell lengthes */
t_list *subcell; /* pointer to the cell lists */
int dnlc; /* direct neighbour lists counter */
- int countn; /* amount of neighbours */
} t_linkcell;
#include "visual/visual.h"
u8 status; /* general moldyn properties */
t_random random; /* random interface */
+
+ int debug; /* debugging stuff, ignore */
} t_moldyn;
#define MOLDYN_STAT_PBX 0x08 /* periodic boudaries in x */
#define TRUE 1
#define FALSE 0
+#define ACCEPTABLE_ERROR 1e-15
+
/*
*
* phsical values / constants