Missing fdf flags error #670
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Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## main #670 +/- ##
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+ Coverage 87.63% 87.65% +0.01%
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Files 364 365 +1
Lines 48996 49054 +58
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+ Hits 42940 42997 +57
- Misses 6056 6057 +1 ☔ View full report in Codecov by Sentry. |
This should make debugging errors for users simpler in cases where there is a keyerror, and they think they can just extract the orbital-transmissions from calculations which didn't calculate it. Also fixed projections orbital-transmissions. I think the old one didn't parse the projections correctly, now it should. warnings can also be issued in case the users wants to know what is missing etc. This is still work in progress, but considering we could add info stuff for the fdf sile. Signed-off-by: Nick Papior <[email protected]>
we should add more of these here and there. fdf content will still only be shown when 'track' is True Signed-off-by: Nick Papior <[email protected]>
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Allows sisl to issue warnings that hints at what flags/arguments might be necessary for the parent executable (e.g.
siesta) to enable certain outputs.This was inspired by many issues related to missing
orbital_transmissionoutput. It is thus non-intrusive, but is a nice to have feature for end-users.isort .andblack .at top-leveldocs/CHANGELOG.md