- ./perms
- argv="`echo $@ | grep -- '-V'`"
- if [ "$argv" ] ; then
- base=`echo $argv | awk -F'-V' '{ print $2 }' | \
- awk '{ print $2 }'`
- rasmol -nodisplay < ${base}.scr
- ./ppm2avi
+ #./perms
+ if [ "$1" ] ; then
+ # whole simulation cell
+ #./visualize -w 640 -h 480 -d $1
+
+ # center unit cell
+ ./visualize -w 640 -h 480 -d $1 \
+ -nll -0.56 -0.56 -0.56 -fur 0.56 0.56 0.56 \
+ -b -0.5 -0.5 -0.5 0.5 0.5 0.5 \
+ -c -0.2 -2.0 0.6 -L 0 0 -0.1 \
+ -r 0.6 -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