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Readxyz #266
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…s to be closer to metal and still be identified as coordinating)
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As long as you only changed the test cases that were absolutely necessary to change due to the change in oct
default value in getBondedAtomsOct
, this should be good
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It looks like the test case changes are the same as in commit 0ed95c5. The changes to the readfromxyz
function look good to me.
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #266 +/- ##
==========================================
- Coverage 37.40% 37.38% -0.03%
==========================================
Files 89 89
Lines 29827 29846 +19
==========================================
+ Hits 11158 11159 +1
- Misses 18669 18687 +18
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. |
update readfromxyz to allow xyz files as strings