X-Git-Url: https://www.hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=sic.c;fp=sic.c;h=fb20a568383b7c490df20b83dd44fc4ebea21430;hp=a7613e2c84e08ae0a1a0eba64eccc81513e29ff6;hb=b3f72740276662c09ff43c294b04409a5bb2e013;hpb=6a467846e1bd9212bcfd4c5ac29f8954305aaff5

diff --git a/sic.c b/sic.c
index a7613e2..fb20a56 100644
--- a/sic.c
+++ b/sic.c
@@ -122,6 +122,9 @@ int sic_hook(void *moldyn,void *hook_params) {
 	hp=hook_params;
 	md=moldyn;
 
+	tau=1.0;
+	steps=0;
+
 	/* switch on t scaling */
 	if(md->schedule.count==0)
 		set_pt_scale(md,0,0,T_SCALE_BERENDSEN,100.0);
@@ -438,6 +441,9 @@ int main(int argc,char **argv) {
 	moldyn_set_log(&md,SAVE_STEP,LOG_S);
 	moldyn_set_log(&md,CREATE_REPORT,0);
 
+	/* next neighbour distance for critical checking */
+	set_nn_dist(&md,0.25*ALBE_LC_SI*sqrt(3.0));
+
 	/*
 	 * let's do the actual md algorithm now
 	 *