#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
#define INS_RECT 0x02
#define INS_SPHERE 0x03
#define INS_POS 0x04
+#define INS_RELPOS 0x05
typedef struct s_continue_params {
int runs;
#define CHAATTR_TOTALV 0x01
#define CHAATTR_REGION 0x02
#define CHAATTR_ELEMENT 0x04
+#define CHAATTR_NUMBER 0x08
typedef struct s_chsattr_params {
u8 type;
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
*/