actually just bullshit ... (added unique tag -> maybe symmetry)

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index 7ab3dc9..f4cdd7d 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -151,6 +151,7 @@ int main(int argc,char **argv) {
        printf("[sic] set p/t scaling\n");
        //set_pt_scale(&md,P_SCALE_BERENDSEN,100.0,
        //                 T_SCALE_BERENDSEN,100.0);
+       set_pt_scale(&md,0,0,T_SCALE_BERENDSEN,100.0);
        
        /* initial thermal fluctuations of particles (in equilibrium) */
        printf("[sic] thermal init\n");
@@ -158,7 +159,7 @@ int main(int argc,char **argv) {
 
        /* create the simulation schedule */
        printf("[sic] adding schedule\n");
-       moldyn_add_schedule(&md,30001,1.0);
+       moldyn_add_schedule(&md,20001,1.0);
 
        /* activate logging */
        printf("[sic] activate logging\n");