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update DOS examples
1 parent 5b1b9fd commit 8fee792

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3 files changed

+6
-6
lines changed

3 files changed

+6
-6
lines changed
Lines changed: 3 additions & 3 deletions
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@@ -1,4 +1,4 @@
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etotref -205.4532897097782
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etotref -205.4532897097783
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etotperatomref -102.7266448549
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totaldosref 11.9052
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totaltimeref 0.31
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totaldosref 12
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totaltimeref 0.38

tests/03_NAO_multik/47_NO_KP_SO_OD/result.ref

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@@ -2,5 +2,5 @@ etotref -1964.0663947982975515
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etotperatomref -982.0331973991
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totalforceref 0.162298
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totalstressref 1877.059021
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totaldosref 37.9834
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totaltimeref 7.07
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totaldosref 38
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totaltimeref 7.05

tests/integrate/tools/catch_properties.sh

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@@ -138,7 +138,7 @@ fi
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# echo $total_charge
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#-------------------------------
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if ! test -z "$has_dos" && [ $has_dos == 1 ]; then
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total_dos=`cat OUT.autotest/doss1*.txt | awk 'END {print}' | awk '{print $5}'`
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total_dos=`cat OUT.autotest/doss1*.txt | awk 'END {print}' | awk '{print $3}'`
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echo "totaldosref $total_dos" >> $1
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fi
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