X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe.c;h=c01ab15106d51834980fed6f9c0836c9336efcb1;hb=155e1cfea83209d09c2a06ae4fb7f5e1652fc00a;hp=ddfb3c6c707de47598d4f428f51167158cb7ff1f;hpb=4c2140b0f76fb191bdd9b9c2a329877eb0aae531;p=physik%2Fposic.git diff --git a/potentials/albe.c b/potentials/albe.c index ddfb3c6..c01ab15 100644 --- a/potentials/albe.c +++ b/potentials/albe.c @@ -24,6 +24,12 @@ int albe_mult_set_params(t_moldyn *moldyn,int element1,int element2) { t_albe_mult_params *p; + // set cutoff before parameters (actually only necessary for some pots) + if(moldyn->cutoff==0.0) { + printf("[albe] WARNING: no cutoff!\n"); + return -1; + } + /* alloc mem for potential parameters */ moldyn->pot_params=malloc(sizeof(t_albe_mult_params)); if(moldyn->pot_params==NULL) {