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auto bond feature added
[physik/posic.git]
/
vasp_tools
/
pc_script
diff --git
a/vasp_tools/pc_script
b/vasp_tools/pc_script
index
807d506
..
2e2b5f0
100755
(executable)
--- a/
vasp_tools/pc_script
+++ b/
vasp_tools/pc_script
@@
-44,7
+44,7
@@
echo "running on $files using $sx $sy $sz ..."
#./pc_calc $sx $sy $sz $files
./pc_calc $sx $sy $sz $files | grep ^pc | \
- awk '{ print $2 " " $3 " " $4 " "$5 }' >
pc
.txt
+ awk '{ print $2 " " $3 " " $4 " "$5 }' >
$1/pc${app}
.txt
echo "done"