From 62b5333eb3550d34134f2c078a207f76e9b17c12 Mon Sep 17 00:00:00 2001 From: hackbard Date: Mon, 6 Apr 2009 18:27:24 +0200 Subject: [PATCH] create xyz to parcas input --- povconv | 23 +++++++++++++---------- 1 file changed, 13 insertions(+), 10 deletions(-) diff --git a/povconv b/povconv index 122b3e8..0983b8e 100755 --- a/povconv +++ b/povconv @@ -5,18 +5,20 @@ # 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)) -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 }'` @@ -37,13 +39,14 @@ for file in $1/atomic_conf_*.xyz; do cat $file | grep -v '^#' | while read name x y z color temp; do # well, i only use Si and C - [ "$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)) -done +#done -- 2.39.2