From: hackbard Date: Tue, 19 Aug 2008 14:45:06 +0000 (+0200) Subject: added debug aattr print + initialize nnd for 'none' lattice manually X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=d6833a9f3e7ab752d54f1108c15fc3a95f8214ed;p=physik%2Fposic.git added debug aattr print + initialize nnd for 'none' lattice manually --- diff --git a/mdrun.c b/mdrun.c index 1368880..af8a352 100644 --- a/mdrun.c +++ b/mdrun.c @@ -836,6 +836,7 @@ int chaatr(t_moldyn *moldyn,t_mdrun *mdrun) { } atom->attr=cap->attr; } + printf(" atom attributes: %02x\n\n",cap->attr); return 0; } @@ -1127,6 +1128,7 @@ int main(int argc,char **argv) { mdrun.ly,mdrun.lz,&o); break; case NONE: + set_nn_dist(&moldyn,mdrun.nnd); break; default: printf("%s unknown lattice type: %02x\n",