test

[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index 58302fb..947467c 100644 (file)
--- a/moldyn.h
+++ b/moldyn.h
@@ -118,12 +118,6 @@ typedef struct s_moldyn {
        t_random random;        /* random interface */
 } t_moldyn;
 
-#define MOLDYN_LVSTAT_TOTAL_E          0x01
-#define MOLDYN_LVSTAT_TOTAL_M          0x02
-#define MOLDYN_LVSTAT_SAVE             0x04
-#define MOLDYN_LVSTAT_VISUAL           0x08
-#define MOLDYN_LVSTAT_INITIALIZED      0x10
-
 #define MOLDYN_STAT_PBX                        0x08    /* periodic boudaries in x */
 #define MOLDYN_STAT_PBY                        0x10    /* y */
 #define MOLDYN_STAT_PBZ                        0x20    /* and z direction */
@@ -231,6 +225,8 @@ typedef struct s_tersoff_mult_params {
 #define MOLDYN_CUTOFF                  1.0e-9
 #define MOLDYN_RUNS                    1000000
 
+#define MOLDYN_CRITICAL_EST_TEMP       5.0
+
 #define MOLDYN_INTEGRATE_VERLET                0x00
 #define MOLDYN_INTEGRATE_DEFAULT       MOLDYN_INTEGRATE_VERLET
 
@@ -307,7 +303,7 @@ double get_e_pot(t_moldyn *moldyn);
 double get_total_energy(t_moldyn *moldyn);
 t_3dvec get_total_p(t_moldyn *moldyn);
 
-double estimate_time_step(t_moldyn *moldyn,double nn_dist,double t);
+double estimate_time_step(t_moldyn *moldyn,double nn_dist);
 
 int link_cell_init(t_moldyn *moldyn);
 int link_cell_update(t_moldyn *moldyn);