added set_temp and set_timestep stages

[physik/posic.git] / mdrun.h

diff --git a/mdrun.h b/mdrun.h
index acd233184cae2c04dafc7562299dd5b92e31dfdd..90300726b409d0ce017db75d15fd5860b099375a 100644 (file)
--- 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
  */