X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=mdrun.h;fp=mdrun.h;h=90300726b409d0ce017db75d15fd5860b099375a;hb=55cd4d049604f2cf1d0fff095e6bcd13ec25780f;hp=acd233184cae2c04dafc7562299dd5b92e31dfdd;hpb=1658269dc35c91b7a55d818d68a2250dc77ef1e8;p=physik%2Fposic.git diff --git a/mdrun.h b/mdrun.h index acd2331..9030072 100644 --- a/mdrun.h +++ b/mdrun.h @@ -48,6 +48,8 @@ typedef struct s_stage { #define STAGE_ANNEAL 0x04 #define STAGE_CHAATTR 0x05 #define STAGE_CHSATTR 0x06 +#define STAGE_SET_TEMP 0x07 +#define STAGE_SET_TIMESTEP 0x08 typedef struct s_mdrun { char cfile[128]; // config file @@ -176,6 +178,18 @@ typedef struct s_chsattr_params { #define CHSATTR_AVGRST 0x10 #define CHSATTR_RSTEPS 0x20 +typedef struct s_set_temp_params { + u8 type; + double val; +} t_set_temp_params; + +#define SET_TEMP_CURRENT 0x01 +#define SET_TEMP_VALUE 0x02 + +typedef struct s_set_timestep_params { + double tau; +} t_set_timestep_params; + /* * function prototypes */