docs: update DPRc examples to make it compressible #2874
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportAll modified lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #2874 +/- ##
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Coverage 75.46% 75.46%
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Files 244 244
Lines 24518 24518
Branches 1580 1580
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+ Hits 18502 18503 +1
+ Misses 5085 5084 -1
Partials 931 931 ☔ View full report in Codecov by Sentry. |
wanghan-iapcm
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set_davg_zerois not required in the QM/QM descriptor. The atomic energies for QM atoms are not zero. In the QM/QM descriptor, the output of MM atoms is always zero, andset_davg_zeroonly takes effect in QM atoms.