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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 */
atom=moldyn->atom;
/* initialize linked cell method */
+printf(" hier soll es sein\n");
link_cell_init(moldyn,VERBOSE);
/* logging & visualization */
link_cell_init(moldyn,VERBOSE);
/* logging & visualization */
@@
-2415,6
+2416,8
@@
int process_2b_bonds(t_moldyn *moldyn,void *data,
lc=&(moldyn->lc);
lc=&(moldyn->lc);
+ /* only init link cell if it doesn't exist! */
+ HIER WEITER
link_cell_init(moldyn,VERBOSE);
itom=moldyn->atom;
link_cell_init(moldyn,VERBOSE);
itom=moldyn->atom;