Pbc attribute #34
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Pbc attribute #34
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Codecov ReportAttention: Patch coverage is
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## master #34 +/- ##
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+ Coverage 50.95% 51.57% +0.62%
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Files 12 12
Lines 3048 3052 +4
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+ Hits 1553 1574 +21
+ Misses 1495 1478 -17 ☔ View full report in Codecov by Sentry. |
added 3 commits
March 22, 2024 10:25
…with various QC software
…ue) if using vasp software
…e to make sure the pbc's match what the user sets as the input.
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mjohnson541
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Mar 22, 2024
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Added in PBC's as a instance attribute for Pynta class. Made a couple updates to make sure this initial setting is captured in rest of code.