safety checkin before mensa

[physik/posic.git] / moldyn.c

diff --git a/moldyn.c b/moldyn.c
index 832d171..6fa9df2 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -1635,6 +1635,7 @@ int moldyn_integrate(t_moldyn *moldyn) {
        atom=moldyn->atom;
 
        /* initialize linked cell method */
+printf(" hier soll es sein\n");
        link_cell_init(moldyn,VERBOSE);
 
        /* logging & visualization */
@@ -2415,6 +2416,8 @@ int process_2b_bonds(t_moldyn *moldyn,void *data,
 
        lc=&(moldyn->lc);
 
+       /* only init link cell if it doesn't exist! */
+       HIER WEITER
        link_cell_init(moldyn,VERBOSE);
 
        itom=moldyn->atom;