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added s2xyz tools
[physik/posic.git]
/
s2xyz_script
diff --git a/s2xyz_script
b/s2xyz_script
new file mode 100755
(executable)
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
+
+
+