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fix bug
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tests/integrate/tools/catch_properties.sh

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -96,7 +96,7 @@ fi
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# total energy information
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#----------------------------
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if [ $calculation != "get_wf" ]\
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&& [ $calculation != "get_pchg" ] && [ $calculation != "get_S" ]\
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&& [ $calculation != "get_pchg" ] && [ $calculation != "get_s" ]\
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&& [ $is_lr == 0 ]; then
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etot=$(grep "ETOT_" "$running_path" | tail -1 | awk '{print $2}')
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#echo "etot = $etot"

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