Parallelizes MDAnalysis.analysis.msd
#4896
Open
+98
−22
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Fixes #4676
Changes made in this Pull Request:
split-apply-combine
technique to parallelize theMDAnalysis.analysis.msd.EinsteinMSD
testsuite/analysis/conftest.py
, analogous with existing onesclient_EinsteinMSD
, fixtures to all tests using intestsuite/MDAnalysisTests/analysis/test_msd.py
, and modified the wayrun()
method is called torun(**client_EinsteinMSD)
PR Checklist
Developers certificate of origin
📚 Documentation preview 📚: https://mdanalysis--4896.org.readthedocs.build/en/4896/