aiida-vasp / parsevasp

A general parser for VASP
MIT License
13 stars 13 forks source link

Release/v3.2.0 #134

Closed espenfl closed 1 year ago

espenfl commented 1 year ago

Here we make a new release with various bugfixes and additions, please consult the changelog.

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 88.07% and project coverage change: +0.33 :tada:

Comparison is base (35ad9c2) 80.36% compared to head (e02439d) 80.69%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #134 +/- ## ========================================== + Coverage 80.36% 80.69% +0.33% ========================================== Files 13 14 +1 Lines 3390 3525 +135 ========================================== + Hits 2724 2844 +120 - Misses 666 681 +15 ``` | [Impacted Files](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp) | Coverage Δ | | |---|---|---| | [parsevasp/kpoints.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL2twb2ludHMucHk=) | `70.00% <72.10%> (-0.41%)` | :arrow_down: | | [parsevasp/potcar.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL3BvdGNhci5weQ==) | `87.50% <87.50%> (ø)` | | | [parsevasp/vasprun.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL3Zhc3BydW4ucHk=) | `83.69% <88.89%> (+0.40%)` | :arrow_up: | | [parsevasp/stream.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL3N0cmVhbS5weQ==) | `90.48% <92.46%> (+1.84%)` | :arrow_up: | | [parsevasp/\_\_init\_\_.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL19faW5pdF9fLnB5) | `100.00% <100.00%> (ø)` | | | [parsevasp/base.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL2Jhc2UucHk=) | `76.20% <100.00%> (ø)` | | | [parsevasp/chgcar.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL2NoZ2Nhci5weQ==) | `90.57% <100.00%> (ø)` | | | [parsevasp/constants.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL2NvbnN0YW50cy5weQ==) | `100.00% <100.00%> (ø)` | | | [parsevasp/doscar.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL2Rvc2Nhci5weQ==) | `91.18% <100.00%> (+0.09%)` | :arrow_up: | | [parsevasp/eigenval.py](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp#diff-cGFyc2V2YXNwL2VpZ2VudmFsLnB5) | `91.31% <100.00%> (ø)` | | | ... and [4 more](https://app.codecov.io/gh/aiida-vasp/parsevasp/pull/134?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiida-vasp) | |

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espenfl commented 1 year ago

@JPchico That is good. Thanks. Lifting the WIP now as this seems fine.