X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;h=a3c4f742afc5d90a443623b38989d830a18312c6;hb=155e1cfea83209d09c2a06ae4fb7f5e1652fc00a;hp=0e14bb12f23f5e28e047a41046feec014195774e;hpb=4c2140b0f76fb191bdd9b9c2a329877eb0aae531;p=physik%2Fposic.git diff --git a/sic.c b/sic.c index 0e14bb1..a3c4f74 100644 --- 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