X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Ftersoff.c;h=d322b69af72f083af2b6a891b4e92091f73bf208;hb=155e1cfea83209d09c2a06ae4fb7f5e1652fc00a;hp=b83bfd60bd871be79ddf3a06cd48966e67cd0ccc;hpb=4c2140b0f76fb191bdd9b9c2a329877eb0aae531;p=physik%2Fposic.git

diff --git a/potentials/tersoff.c b/potentials/tersoff.c
index b83bfd6..d322b69 100644
--- a/potentials/tersoff.c
+++ b/potentials/tersoff.c
@@ -24,6 +24,12 @@ int tersoff_mult_set_params(t_moldyn *moldyn,int element1,int element2) {
 
 	t_tersoff_mult_params *p;
 
+	// set cutoff before parameters (actually only necessary for some pots)
+	if(moldyn->cutoff==0.0) {
+		printf("[tersoff] WARNING: no cutoff!\n");
+		return -1;
+	}
+
 	/* alloc mem for potential parameters */
 	 moldyn->pot_params=malloc(sizeof(t_tersoff_mult_params));
 	 if(moldyn->pot_params==NULL) {