bug_fix | to support multi-element cases #608
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currently, only count the #atoms of the first element when evaluating E-per-atom;
Codecov Report
@@ Coverage Diff @@
## devel #608 +/- ##
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Coverage 33.11% 33.11%
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Files 86 86
Lines 14817 14817
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Hits 4906 4906
Misses 9911 9911
Continue to review full report at Codecov.
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re-patch, the same as pr #606 (closed due to the wrong title of the add-on commit within) |
kevinwenminion
approved these changes
Dec 2, 2021
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currently, only count the #atoms of the first element when evaluating E-per-atom;