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adapted all potential to new scheme + necessary mods to main code
[physik/posic.git]
/
potentials
/
albe.c
diff --git
a/potentials/albe.c
b/potentials/albe.c
index
ddfb3c6
..
c01ab15
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;
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) {
/* alloc mem for potential parameters */
moldyn->pot_params=malloc(sizeof(t_albe_mult_params));
if(moldyn->pot_params==NULL) {