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throw errros if rmin is no less than rmax #3393
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when rmin==rmax, the previous implementation of compute_smooth_weight will give all nan. In theory, it should not happen. Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## devel #3393 +/- ##
==========================================
- Coverage 76.94% 76.91% -0.03%
==========================================
Files 423 423
Lines 35874 35878 +4
Branches 1620 1620
==========================================
- Hits 27604 27597 -7
- Misses 7402 7413 +11
Partials 868 868 ☔ View full report in Codecov by Sentry. |
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an error should raise when rcut_smth >= rcut.
This reverts commit 9e55925.
This reverts commit 80337f7.
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
should be fixed by #3413 |
Signed-off-by: Jinzhe Zeng <[email protected]>
when rmin==rmax, the previous implementation of compute_smooth_weight will give all nan. In theory, it should not happen.