put repulsive part to 3bp/j2 function

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index 714710b..2221025 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -97,7 +97,7 @@ int main(int argc,char **argv) {
 
        /* choose potential */
        set_potential1b(&md,tersoff_mult_1bp);
-       set_potential2b(&md,tersoff_mult_2bp);
+       //set_potential2b(&md,tersoff_mult_2bp);
        //set_potential3b_j1(&md,tersoff_mult_2bp);
        //set_potential3b_k1(&md,tersoff_mult_3bp);
        //set_potential3b_j3(&md,tersoff_mult_post_2bp);