brainandforce / Electrum.jl

A Julian toolkit for solid-state chemical theory.
MIT License
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Support for abinit 9.10.1 outputs #176

Closed brainandforce closed 1 year ago

brainandforce commented 1 year ago

I performed some norm-conserving pseudopotential calculations with abinit 9.10.1 and fixed a bug which now enables support for that version. Previously, Electrum only officially had support for abinit 7.10.5 and 8.10.3.

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (ed1245a) 57.31% compared to head (df7b519) 57.31%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #176 +/- ## ======================================= Coverage 57.31% 57.31% ======================================= Files 18 18 Lines 1361 1361 ======================================= Hits 780 780 Misses 581 581 ``` | [Impacted Files](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/176?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/abinit.jl](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/176?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL3NvZnR3YXJlL2FiaW5pdC5qbA==) | `46.83% <100.00%> (ø)` | |

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