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started with crt ...
[physik/posic.git]
/
mdrun.h
diff --git
a/mdrun.h
b/mdrun.h
index
0a5ceab
..
102c3d2
100644
(file)
--- 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_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
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;
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
*/
/*
* function prototypes
*/