From: hackbard Date: Wed, 16 Aug 2006 14:45:22 +0000 (+0000) Subject: some changes X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=593bb07bf38d6d32e9eca61d9637d9e5b7f428d0;p=physik%2Fposic.git some changes --- diff --git a/moldyn.c b/moldyn.c index 3424d49..dc2dd8e 100644 --- a/moldyn.c +++ b/moldyn.c @@ -969,7 +969,7 @@ int tersoff(t_moldyn *moldyn) { lc=&(moldyn->lc); count=moldyn->count; - /* reset enrgy counter */ + /* reset energy counter */ u=0.0; for(i=0;ir.x+(moldyn->dim.x/2))/lc->x; kj=(btom->r.y+(moldyn->dim.y/2))/lc->y; @@ -1013,6 +1033,16 @@ int tersoff(t_moldyn *moldyn) { continue; /* 3 body stuff (1) */ + + theta_ijk=; + sin_theta=; + cos_theta=; + hi_cos=; + hi_cos_square=; + + + /* end 3 body stuff (1) */ + } while(list_next(thisk)!=L_NO_NEXT_ELEMENT);