X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=eb2c6068caae95cd7efac77c5dff1e7e0eb285b8;hb=3ce21f4433c04699bb6f47f0332a6f0e3c462f5e;hp=a9785413ab55eec8ef5c4f6ba46e7a6f1f8b3726;hpb=56fe12b9eabe0cfa493e2f1b1d0d7d219ae8705b;p=physik%2Fposic.git diff --git a/moldyn.c b/moldyn.c index a978541..eb2c606 100644 --- a/moldyn.c +++ b/moldyn.c @@ -618,10 +618,6 @@ int moldyn_integrate(t_moldyn *moldyn) { /* calculate initial forces */ potential_force_calc(moldyn); - /* accuracy check */ - ds=0.5*moldyn->tau_square*v3_norm(&(atom[0].f))/atom[0].mass; - if(ds>moldyn->lc. - /* zero absolute time */ moldyn->time=0.0;