implemented continue featue + skipped d calc in bond_analyze function

[physik/posic.git] / potentials / albe.c

diff --git a/potentials/albe.c b/potentials/albe.c
index ddfb3c6c707de47598d4f428f51167158cb7ff1f..c01ab15106d51834980fed6f9c0836c9336efcb1 100644 (file)
--- 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) {