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added the all stoms crt patch
[physik/posic.git]
/
povconv
diff --git
a/povconv
b/povconv
index
122b3e8
..
0983b8e
100755
(executable)
--- a/
povconv
+++ b/
povconv
@@
-5,18
+5,20
@@
# frank.zirkelbach@physik.uni-augsburg.de
#
# frank.zirkelbach@physik.uni-augsburg.de
#
-if [ ! -d $1 ]; then
- echo "no valid directory"
- exit 1
-fi
+
#
if [ ! -d $1 ]; then
+
#
echo "no valid directory"
+
#
exit 1
+
#
fi
-TRG=
$1/md.movie
+TRG=
"mdlat.in.xyz"
rm -f $TRG
((frame=1))
rm -f $TRG
((frame=1))
-for file in $1/atomic_conf_*.xyz; do
+#for file in $1/atomic_conf_*.xyz; do
+
+file=$1
count=`grep '# \[P\]' $file | awk '{ print $3 }'`
time=`grep '# \[P\]' $file | awk '{ print $4 }'`
count=`grep '# \[P\]' $file | awk '{ print $3 }'`
time=`grep '# \[P\]' $file | awk '{ print $4 }'`
@@
-37,13
+39,14
@@
for file in $1/atomic_conf_*.xyz; do
cat $file | grep -v '^#' | while read name x y z color temp; do
# well, i only use Si and C
cat $file | grep -v '^#' | while read name x y z color temp; do
# well, i only use Si and C
- [ "$name" = "Si" ] && type=1
- [ "$name" = "C" ] && type=2
- echo "$name $x $y $z $type ${ac}" >> $TRG
+ [ "$name" = "Si" ] && type=0
+ [ "$name" = "C" ] && type=1
+ #echo "$name $x $y $z $type ${ac}" >> $TRG
+ echo "$name $x $y $z $type" >> $TRG
((ac+=1))
done
((frame+=1))
((ac+=1))
done
((frame+=1))
-done
+
#
done