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JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
https://jageo.github.io/LobsterPy/
BSD 3-Clause "New" or "Revised" License
74 stars 27 forks source link

Add explanation to cli help #244

Closed naik-aakash closed 6 months ago

naik-aakash commented 6 months ago

Closes #236 and #243

Changes

  1. Extend help string in cli app and readme for create-inputs command with link to publication
  2. Add example file in examples for create-inputs cli arg
codecov[bot] commented 6 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 97.50%. Comparing base (f0d410d) to head (b6ece09).

:exclamation: Current head b6ece09 differs from pull request most recent head 54fc711. Consider uploading reports for the commit 54fc711 to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #244 +/- ## ========================================== + Coverage 97.47% 97.50% +0.03% ========================================== Files 11 11 Lines 2848 2848 ========================================== + Hits 2776 2777 +1 + Misses 72 71 -1 ```

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JaGeo commented 6 months ago

@naik-aakash , I have added some suggestions to the texts.

naik-aakash commented 6 months ago

@naik-aakash , I have added some suggestions to the texts.

Thanks, will commit those here

naik-aakash commented 6 months ago

This PR could also be merged

JaGeo commented 6 months ago

@naik-aakash Maybe a new linting failure, le's see!