codecov[bot]
commented
1 year ago Codecov Report
Base: 31.85% // Head: 31.87% // Increases project coverage by +0.02% :tada:
Coverage data is based on head (
b0cd11c) compared to base (93e32e8). Patch coverage: 60.00% of modified lines in pull request are covered.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #140 +/- ## ========================================== + Coverage 31.85% 31.87% +0.02% ========================================== Files 16 16 Lines 1419 1418 -1 ========================================== Hits 452 452 + Misses 967 966 -1 ``` | [Impacted Files](https://codecov.io/gh/brainandforce/Electrum.jl/pull/140?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores) | Coverage Δ | | |---|---|---| | [src/software/vasp.jl](https://codecov.io/gh/brainandforce/Electrum.jl/pull/140?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL3NvZnR3YXJlL3Zhc3Auamw=) | `12.38% <0.00%> (ø)` | | | [src/data/reciprocalspace.jl](https://codecov.io/gh/brainandforce/Electrum.jl/pull/140?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL2RhdGEvcmVjaXByb2NhbHNwYWNlLmps) | `12.21% <100.00%> (-0.57%)` | :arrow_down: | | [src/software/abinit.jl](https://codecov.io/gh/brainandforce/Electrum.jl/pull/140?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL3NvZnR3YXJlL2FiaW5pdC5qbA==) | `45.75% <100.00%> (+0.16%)` | :arrow_up: | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores):umbrella: View full report at Codecov.
:loudspeaker: Do you have feedback about the report comment? Let us know in this issue.
This should allow for a lone
HKLDatastruct to be more easily dealt with, as the associated k-point will be included. No need to go back and reference aKPointGridorKPointListrepeatedly.I've also updated the logic of
read_abinit_wavefunction()andreadWAVECAR()to include the k-points explicitly. I haven't checked how FFTs are handled, but the default constructor forHKLDatawill insert a zero k-point vector if it's not explicitly specified.