lennard jones force

[physik/posic.git] / posic.c

diff --git a/posic.c b/posic.c
index 6d901b4..79654cd 100644 (file)
--- a/posic.c
+++ b/posic.c
@@ -75,6 +75,8 @@ int main(int argc,char **argv) {
        md.count=count;
        md.atom=si;
        md.potential=potential_lennard_jones;
+       md.force=force_lennard_jones;
+       md.cutoff_square=((LC_SI/4.0)*(LC_SI/4.0));
        md.pot_params=&lj;
        md.force=NULL;
        md.status=0;