X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;h=5f50bd802440865c0585ff57e9f5395c35fa387c;hb=15dd7ee084a5db24a3e1a15428cd47e8d61fda5b;hp=3408895d66db15a8aa1fc9dd2ad8448de5dfa7c4;hpb=dfbe75140f5a113f898809c529a882034507f6d1;p=physik%2Fposic.git diff --git a/sic.c b/sic.c index 3408895..5f50bd8 100644 --- a/sic.c +++ b/sic.c @@ -41,6 +41,7 @@ int main(int argc,char **argv) { printf("[sic] selecting potential\n"); set_potential1b(&md,tersoff_mult_1bp,&tp); set_potential2b(&md,tersoff_mult_2bp,&tp); + set_potential2b_post(&md,tersoff_mult_post_2bp,&tp); set_potential3b(&md,tersoff_mult_3bp,&tp); //set_potential2b(&md,lennard_jones,&lj); @@ -125,7 +126,7 @@ int main(int argc,char **argv) { /* create the simulation schedule */ printf("[sic] adding schedule\n"); - moldyn_add_schedule(&md,10,1.0e-15); + moldyn_add_schedule(&md,100,1.0e-15); /* activate logging */ printf("[sic] activate logging\n");