X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=s2xyz_script;fp=s2xyz_script;h=98ee7f5f8d2d153e876ed4af882a7ba11600d5b5;hp=0000000000000000000000000000000000000000;hb=6e6d7126ea9a845f11637d8e1b8eb2b570ac4dc9;hpb=97dc63eb6a519b8e1f4fbfaa9760dd94539436b0

diff --git a/s2xyz_script b/s2xyz_script
new file mode 100755
index 0000000..98ee7f5
--- /dev/null
+++ b/s2xyz_script
@@ -0,0 +1,14 @@
+#!/bin/bash
+
+DIR="$1"
+
+for i in $1/s-*.save; do
+	FILE="`basename $i`"
+	NUM="`echo $FILE | awk -F- '{ print $2 }' | awk -F. '{ print $1 }'`"
+	TRG="$DIR/atomic_conf_${NUM}.xyz"
+	echo "converting $i -> $TRG"
+	./s2xyz $i > $TRG
+done
+
+	
+