run

   1 if [ -z "$1" ]; then
   2         exit
   3 fi
   4
   5 [ ! -d $1 ] && mkdir $1
   6 ./clean $1
   7 ./sic $@
   8 if [ "$?" == "0" ]; then
   9         #./perms
  10         if [ "$1" ] ; then
  11                 # whole simulation cell
  12                 #./visualize -w 640 -h 480 -d $1
  13
  14                 # center unit cell
  15                 ./visualize -w 640 -h 480 -d $1 \
  16                             -nll -2.4 -2.4 -2.4 -fur 3.8 3.8 3.8 \
  17                             -b -2.03 -2.03 -2.03 3.39 3.39 3.39 \
  18                             -r 0.6 -c 1.5 -15.0 1.5 -B 0.1
  19
  20                 # old rasmol
  21                 #rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
  22                 ./ppm2avi $1
  23
  24                 # copy config and main prog
  25                 cp -v sic.c $1/sic.c
  26                 cp -v config.h $1/config.h
  27         fi
  28 fi