X-Git-Url: https://www.hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=mdrun.h;h=102c3d2b6f3d098a216ca58758139a52a7bdeeee;hp=0a5ceabaff4abcca73df7b7ecc4536c1fdc64fa7;hb=bc17c58e6e7c5adde9e7cf89efd6dfe37147446d;hpb=d24930a9135ffd5927fbf65a71494f5cf772f264 diff --git a/mdrun.h b/mdrun.h index 0a5ceab..102c3d2 100644 --- a/mdrun.h +++ b/mdrun.h @@ -54,6 +54,7 @@ typedef struct s_stage { #define STAGE_THERMAL_INIT 0x10 #define STAGE_DEL_ATOMS 0x11 #define STAGE_MODIFY_ATOMS 0x12 +#define STAGE_CRT 0x13 typedef struct s_mdrun { char cfile[128]; // config file @@ -218,6 +219,15 @@ typedef struct s_fill_params { t_offset_params o_params; } t_fill_params; +typedef struct s_crt_params { + u8 type; + char file[128]; + t_3dvec *r_fin; + u8 *constraints; + int steps; + int count; +} t_crt_params; + /* * function prototypes */