fix: modify the reading of parameter 'fp_dpks_descriptor' in run.py #989
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Codecov ReportBase: 38.89% // Head: 38.89% // Increases project coverage by
Additional details and impacted files@@ Coverage Diff @@
## devel #989 +/- ##
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Coverage 38.89% 38.89%
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Files 99 99
Lines 17948 17949 +1
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+ Hits 6981 6982 +1
Misses 10967 10967
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njzjz
requested changes
Oct 9, 2022
njzjz
approved these changes
Oct 9, 2022
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In ABACUS-DEEPKS, ABACUS need the deepks descriptor file when one of 'deepks_out_labels' and 'deepks_scf' is set to 1.