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Update lobster output file list#355

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shyuep merged 10 commits intomaterialsproject:masterfrom
naik-aakash:update_lobsteroutputs
May 12, 2025
Merged

Update lobster output file list#355
shyuep merged 10 commits intomaterialsproject:masterfrom
naik-aakash:update_lobsteroutputs

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@naik-aakash
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@naik-aakash naik-aakash commented Nov 5, 2024

Hi @JaGeo and @shyuep, I have updated the list of output files from LOBSTER here. These are optional files that can be generated using lobster >=v5.

This should also get gzipped now if a user runs with keywords that enable such calculations.

Todo

  • Add test files and update tests

@shyuep
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shyuep commented Nov 5, 2024

Please have some unittests to make sure that these are dealt with as they should.

@naik-aakash naik-aakash changed the title Update lobster output file list [WIP] Update lobster output file list Nov 5, 2024
@naik-aakash naik-aakash marked this pull request as draft November 5, 2024 16:41
@naik-aakash naik-aakash changed the title [WIP] Update lobster output file list Update lobster output file list Nov 17, 2024
@naik-aakash naik-aakash marked this pull request as ready for review November 17, 2024 12:44
@naik-aakash
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Hi @shyuep, unit tests have been added now and should be ready to be merged. Happy to address any changes if desired.

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codecov-commenter commented Apr 25, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 69.67%. Comparing base (55ef52e) to head (4b4f623).
⚠️ Report is 61 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #355   +/-   ##
=======================================
  Coverage   69.67%   69.67%           
=======================================
  Files          39       39           
  Lines        3489     3489           
=======================================
  Hits         2431     2431           
  Misses       1058     1058           

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@shyuep shyuep merged commit dcecbf8 into materialsproject:master May 12, 2025
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3 participants