X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=mdrun.h;h=be09d5a80a6296bb597b513776aebb28beae07a7;hp=3f2c6ecb0665794304cf89009f95e26d2a3ea0aa;hb=a16579f010cb5d53b7bf44e854089019ab9b1df0;hpb=1965279af348fbb9b69459d01516bbcd52b6f240 diff --git a/mdrun.h b/mdrun.h index 3f2c6ec..be09d5a 100644 --- a/mdrun.h +++ b/mdrun.h @@ -52,6 +52,7 @@ typedef struct s_stage { #define STAGE_SET_TIMESTEP 0x08 #define STAGE_FILL 0x09 #define STAGE_THERMAL_INIT 0x10 +#define STAGE_DEL_ATOMS 0x11 typedef struct s_mdrun { char cfile[128]; // config file @@ -108,6 +109,11 @@ typedef struct s_displace_atom_params { double dx,dy,dz; } t_displace_atom_params; +typedef struct s_del_atoms_params { + double r; + t_3dvec o; +} t_del_atoms_params; + typedef struct s_insert_atoms_params { u8 type; double x0,y0,z0,x1,y1,z1;