refactor(abacus): modify poscar2stru in auto_test.lib.abacus #1193
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Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## devel #1193 +/- ##
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+ Coverage 47.07% 47.10% +0.02%
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Files 82 82
Lines 14599 14606 +7
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+ Hits 6873 6880 +7
Misses 7726 7726
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wanghan-iapcm
approved these changes
Apr 25, 2023
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Original function
poscar2stru()use dpdata.System to read POSCAR, but it will rotate the structure to make cell to be lower triangular, and this rotation is unexpected.