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Remove the final os.chdir calls to support multi-threaded parallelization of @jobs #1600

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Remove the final os.chdir calls to support multi-threaded parallelization of @jobs #1600

wants to merge 55 commits into from

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@Andrew-S-Rosen Andrew-S-Rosen commented Jan 22, 2024 •
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@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as draft January 22, 2024 22:52
@Andrew-S-Rosen Andrew-S-Rosen deleted the removechd branch February 2, 2024 21:53
@Andrew-S-Rosen Andrew-S-Rosen restored the removechd branch February 11, 2024 17:39
@Andrew-S-Rosen Andrew-S-Rosen added the enhancement New feature or request label Feb 29, 2024
@Andrew-S-Rosen Andrew-S-Rosen changed the title Remove the final cd calls in quacc Remove the final cd calls in quacc to make it safe for multi-threaded parallelization of @jobs Mar 3, 2024
@Andrew-S-Rosen Andrew-S-Rosen changed the title Remove the final cd calls in quacc to make it safe for multi-threaded parallelization of @jobs Remove the final os.chdir calls in quacc to make it safe for multi-threaded parallelization of @jobs Mar 3, 2024
@Andrew-S-Rosen Andrew-S-Rosen changed the title Remove the final os.chdir calls in quacc to make it safe for multi-threaded parallelization of @jobs Remove the final os.chdir calls to support multi-threaded parallelization of @jobs Mar 3, 2024
@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as ready for review March 6, 2024 18:03
@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as draft March 11, 2024 22:33
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codecov bot commented Mar 11, 2024 •
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Codecov Report

Attention: Patch coverage is 84.61538% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 99.36%. Comparing base (de661e8) to head (ce287dd).

Files Patch % Lines
src/quacc/calculators/qchem/qchem.py 50.00% 1 Missing ⚠️
src/quacc/calculators/vasp/vasp.py 90.90% 1 Missing ⚠️
Additional details and impacted files 
@@            Coverage Diff             @@
##             main    #1600      +/-   ##
==========================================
- Coverage   99.40%   99.36%   -0.04%     
==========================================
  Files          81       81              
  Lines        3170     3165       -5     
==========================================
- Hits         3151     3145       -6     
- Misses         19       20       +1

☔ View full report in Codecov by Sentry.
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@Andrew-S-Rosen Andrew-S-Rosen deleted the removechd branch March 13, 2024 05:57
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