projects
/
physik
/
posic.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
added acos to angle calc
[physik/posic.git]
/
mdrun.h
diff --git
a/mdrun.h
b/mdrun.h
index
be09d5a
..
0a5ceab
100644
(file)
--- a/
mdrun.h
+++ b/
mdrun.h
@@
-53,6
+53,7
@@
typedef struct s_stage {
#define STAGE_FILL 0x09
#define STAGE_THERMAL_INIT 0x10
#define STAGE_DEL_ATOMS 0x11
#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
typedef struct s_mdrun {
char cfile[128]; // config file
@@
-114,6
+115,12
@@
typedef struct s_del_atoms_params {
t_3dvec o;
} t_del_atoms_params;
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;
typedef struct s_insert_atoms_params {
u8 type;
double x0,y0,z0,x1,y1,z1;
@@
-143,6
+150,7
@@
typedef struct s_insert_mixed_atoms_params {
#define INS_RECT 0x02
#define INS_SPHERE 0x03
#define INS_POS 0x04
#define INS_RECT 0x02
#define INS_SPHERE 0x03
#define INS_POS 0x04
+#define INS_RELPOS 0x05
typedef struct s_continue_params {
int runs;
typedef struct s_continue_params {
int runs;
@@
-166,6
+174,7
@@
typedef struct s_chaattr_params {
#define CHAATTR_TOTALV 0x01
#define CHAATTR_REGION 0x02
#define CHAATTR_ELEMENT 0x04
#define CHAATTR_TOTALV 0x01
#define CHAATTR_REGION 0x02
#define CHAATTR_ELEMENT 0x04
+#define CHAATTR_NUMBER 0x08
typedef struct s_chsattr_params {
u8 type;
typedef struct s_chsattr_params {
u8 type;
@@
-206,6
+215,7
@@
typedef struct s_fill_params {
u8 fill_brand;
t_part_params p_params;
t_defect_params d_params;
u8 fill_brand;
t_part_params p_params;
t_defect_params d_params;
+ t_offset_params o_params;
} t_fill_params;
/*
} t_fill_params;
/*