adapted all potential to new scheme + necessary mods to main code

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index 0e14bb1..a3c4f74 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -262,9 +262,11 @@ int main(int argc,char **argv) {
 
        /* choose potential */
 #ifdef ALBE
-       set_potential(&md,MOLDYN_POTENTIAL_AM);
+       if(set_potential(&md,MOLDYN_POTENTIAL_AM)<0)
+               return -1;
 #else
-       set_potential(&md,MOLDYN_POTENTIAL_TM);
+       if(set_potential(&md,MOLDYN_POTENTIAL_TM)<0)
+               return -1;
 #endif
 
        /* cutoff radius & bondlen */
@@ -282,15 +284,17 @@ int main(int argc,char **argv) {
         * potential parameters
         */
 
+#ifndef ALBE
        /*
          * tersoff mult potential parameters for SiC
         */
        tersoff_mult_set_params(&md,SI,C);
-
+#else
        /*
          * albe mult potential parameters for SiC
         */
        albe_mult_set_params(&md,SI,C);
+#endif
 
        /* set (initial) dimensions of simulation volume */
 #ifdef ALBE