brainandforce / Electrum.jl

A Julian toolkit for solid-state chemical theory.
MIT License
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Automatically resolve VASP filenames if a directory is given #122

Closed brainandforce closed 2 years ago

brainandforce commented 2 years ago

This should make it significantly easier to batch process the results of VASP calculations. I've also added readCONTCAR() as an effective alias for readPOSCAR().

codecov[bot] commented 2 years ago

Codecov Report

Base: 28.83% // Head: 28.31% // Decreases project coverage by -0.52% :warning:

Coverage data is based on head (2a37b13) compared to base (f5398ba). Patch coverage: 0.00% of modified lines in pull request are covered.

:exclamation: Current head 2a37b13 differs from pull request most recent head 6f35bb5. Consider uploading reports for the commit 6f35bb5 to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #122 +/- ## ========================================== - Coverage 28.83% 28.31% -0.53% ========================================== Files 16 16 Lines 1252 1275 +23 ========================================== Hits 361 361 - Misses 891 914 +23 ``` | [Impacted Files](https://codecov.io/gh/brainandforce/Xtal.jl/pull/122?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/Xtal.jl/pull/122/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL3NvZnR3YXJlL3Zhc3Auamw=) | `0.00% <0.00%> (ø)` | | 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)

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