-mkdir -p saves video
+if [ -z "$1" ]; then
+ exit
+fi
+
+[ ! -d $1 ] && mkdir $1
./clean $1
-./sic $1
+./sic $@
if [ "$?" == "0" ]; then
#./perms
if [ "$1" ] ; then
- rasmol -nodisplay < $1/visualize.scr > /dev/null 2>&1
+ # whole simulation cell
+ #./visualize -w 640 -h 480 -d $1
+
+ # center unit cell
+ ./visualize -w 640 -h 480 -d $1 \
+ -nll -2.4 -2.4 -2.4 -fur 3.8 3.8 3.8 \
+ -b -2.03 -2.03 -2.03 3.39 3.39 3.39 \
+ -r 0.6 -c -0.5 -11.0 2.5 -B 0.1
+
+ # old rasmol
+ #rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
./ppm2avi $1
+
+ # copy config and main prog
+ cp -v sic.c $1/sic.c
+ cp -v config.h $1/config.h
fi
fi