Feat: Refactor dipole fitting pytorch #3281
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Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## devel #3281 +/- ##
==========================================
+ Coverage 75.06% 75.14% +0.08%
==========================================
Files 387 389 +2
Lines 33640 33714 +74
Branches 1604 1600 -4
==========================================
+ Hits 25251 25336 +85
+ Misses 7528 7517 -11
Partials 861 861 ☔ View full report in Codecov by Sentry. |
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anyangml
commented
Feb 17, 2024
Signed-off-by: Anyang Peng <[email protected]>
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njzjz
requested changes
Feb 18, 2024
wanghan-iapcm
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Feb 18, 2024
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wanghan-iapcm
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Feb 18, 2024
njzjz
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Feb 18, 2024
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iProzd
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Feb 18, 2024
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This PR is to provide implementation of equivariant diplole fitting in pytorch and backend-independent numpy.