X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=mdrun.h;h=3f2c6ecb0665794304cf89009f95e26d2a3ea0aa;hp=d6476e541e5db74d14dbdc70766510fe0eb517fd;hb=1965279af348fbb9b69459d01516bbcd52b6f240;hpb=d843bfcc38ac4ad1ceffbb82a1aba8096f791b41 diff --git a/mdrun.h b/mdrun.h index d6476e5..3f2c6ec 100644 --- a/mdrun.h +++ b/mdrun.h @@ -71,9 +71,7 @@ typedef struct s_mdrun { u8 pbcz; int element1; // element 1 - double m1; int element2; // element 2 - double m2; double lc; // lattice constant u8 lattice; // type of lattice @@ -136,8 +134,9 @@ typedef struct s_insert_mixed_atoms_params { } t_insert_mixed_atoms_params; #define INS_TOTAL 0x01 -#define INS_REGION 0x02 -#define INS_POS 0x03 +#define INS_RECT 0x02 +#define INS_SPHERE 0x03 +#define INS_POS 0x04 typedef struct s_continue_params { int runs; @@ -199,8 +198,8 @@ typedef struct s_fill_params { u8 lattice; int fill_element; u8 fill_brand; - u8 p_type; - t_part_vals p_vals; + t_part_params p_params; + t_defect_params d_params; } t_fill_params; /*