atomec-project / atoMEC

Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
https://atomec-project.github.io/atoMEC/
BSD 3-Clause "New" or "Revised" License
17 stars 12 forks source link

Make default "grid_type" consistent and add checker #222

Closed timcallow closed 11 months ago

timcallow commented 11 months ago

Previously, the default "grid_type" was inconsistent because in CalcEnergy it was set to "log", whereas in config it was set to "sqrt".

This PR fixes that issue and also checks it is one of the allowed grid types.

codecov[bot] commented 11 months ago

Codecov Report

Attention: 1 lines in your changes are missing coverage. Please review.

Comparison is base (1ac1ec1) 97.17% compared to head (f6fb204) 97.30%. Report is 2 commits behind head on develop.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #222 +/- ## =========================================== + Coverage 97.17% 97.30% +0.13% =========================================== Files 14 14 Lines 2404 2409 +5 =========================================== + Hits 2336 2344 +8 + Misses 68 65 -3 ``` | [Files](https://app.codecov.io/gh/atomec-project/atoMEC/pull/222?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=atomec-project) | Coverage Δ | | |---|---|---| | [atoMEC/models.py](https://app.codecov.io/gh/atomec-project/atoMEC/pull/222?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=atomec-project#diff-YXRvTUVDL21vZGVscy5weQ==) | `96.91% <100.00%> (ø)` | | | [atoMEC/check\_inputs.py](https://app.codecov.io/gh/atomec-project/atoMEC/pull/222?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=atomec-project#diff-YXRvTUVDL2NoZWNrX2lucHV0cy5weQ==) | `94.81% <80.00%> (+0.08%)` | :arrow_up: | ... and [2 files with indirect coverage changes](https://app.codecov.io/gh/atomec-project/atoMEC/pull/222/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=atomec-project)

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