X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=mdrun.h;h=fa169067643a6ca2b61926694545678f78838384;hb=d1ceb8d3fc8e7a2e067f7576b3e787928d556277;hp=20d68d7f5aae59cd3d44fbc3b99154267eec7056;hpb=3592f3b0cf641729566674a7cdfd8eff3f61f59a;p=physik%2Fposic.git diff --git a/mdrun.h b/mdrun.h index 20d68d7..fa16906 100644 --- a/mdrun.h +++ b/mdrun.h @@ -57,8 +57,9 @@ 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 +116,7 @@ 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;