X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=mdrun.h;h=102d00e73c4e3e51b433deddc39d1e464ee21826;hb=74338eb2c232045ba39ca945cb9662604cbbd6c5;hp=3f2c6ecb0665794304cf89009f95e26d2a3ea0aa;hpb=c8a82a10a403a5e8efc9e83ee36f5d6d35ab639e;p=physik%2Fposic.git

diff --git a/mdrun.h b/mdrun.h
index 3f2c6ec..102d00e 100644
--- a/mdrun.h
+++ b/mdrun.h
@@ -52,6 +52,8 @@ typedef struct s_stage {
 #define STAGE_SET_TIMESTEP			0x08
 #define STAGE_FILL				0x09
 #define STAGE_THERMAL_INIT			0x10
+#define STAGE_DEL_ATOMS				0x11
+#define STAGE_MODIFY_ATOMS			0x12
 
 typedef struct s_mdrun {
 	char cfile[128];			// config file
@@ -108,6 +110,17 @@ 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_modify_aoms_params {
+	u8 type;
+	int tag;
+	t_3dvec ekin;
+} t_modify_atoms_params;
+
 typedef struct s_insert_atoms_params {
 	u8 type;
 	double x0,y0,z0,x1,y1,z1;
@@ -200,6 +213,7 @@ typedef struct s_fill_params {
 	u8 fill_brand;
 	t_part_params p_params;
 	t_defect_params d_params;
+	t_offset_params o_params;
 } t_fill_params;
 
 /*