brainandforce / Electrum.jl

A Julian toolkit for solid-state chemical theory.
MIT License
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Fix/vasp energies #190

Closed xamberl closed 1 year ago

xamberl commented 1 year ago

VASP-related functions get_fermi, readDOSCAR, and readPROCAR returned energies in eV. Now they should return these in Ha.

codecov[bot] commented 1 year ago

Codecov Report

Attention: 4 lines in your changes are missing coverage. Please review.

Comparison is base (44c873b) 58.60% compared to head (2dd7053) 58.60%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #190 +/- ## ======================================= Coverage 58.60% 58.60% ======================================= Files 19 19 Lines 1406 1406 ======================================= Hits 824 824 Misses 582 582 ``` | [Files](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/190?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://app.codecov.io/gh/brainandforce/Electrum.jl/pull/190?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL3NvZnR3YXJlL3Zhc3Auamw=) | `52.26% <0.00%> (ø)` | |

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