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set mulliken charge accuracy from 4 to 3
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tests/integrate/tools/catch_properties.sh

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -477,7 +477,7 @@ fi
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# mulliken charge
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#--------------------------------------------
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if ! test -z "$out_mul" && [ $out_mul == 1 ]; then
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python3 ../tools/CompareFile.py mulliken.txt.ref OUT.autotest/mulliken.txt 4
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python3 ../tools/CompareFile.py mulliken.txt.ref OUT.autotest/mulliken.txt 3
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echo "Compare_mulliken_pass $?" >>$1
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fi
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