Pull requests: wehs7661/ensemble_md
Pull requests list
Increase flexibility of default coordinate swap function and fix minor bugs
#74
by ajfriedman22
was merged Feb 4, 2025
12 tasks done
Develop queuing algorithms and some relevant functionalities for asynchronous REXEE
enhancement
New feature or request
#64
by wehs7661
was closed Sep 16, 2024
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1 of 12 tasks
Unit tests for MT-REXEE functionalities
enhancement
New feature or request
#59
by wehs7661
was merged Sep 19, 2024
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MT-REXEE development
enhancement
New feature or request
#58
by wehs7661
was merged Oct 17, 2024
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4 tasks done
Add tutorials of running and analyzing REXEE simulations
documentation
Improvements or additions to documentation
#52
by wehs7661
was merged Aug 1, 2024
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Update the documentation of Improvements or additions to documentation
enhancement
New feature or request
ensemble_md
documentation
#51
by wehs7661
was merged Apr 30, 2024
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Further refine the unit tests of New feature or request
ensemble_md
enhancement
#49
by wehs7661
was merged Apr 22, 2024
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4 tasks done
Refactor some utility functions
enhancement
New feature or request
#47
by wehs7661
was merged Apr 17, 2024
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Improve the documentation of Improvements or additions to documentation
ensemble_md
documentation
#46
by wehs7661
was closed Apr 19, 2024
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1 task done
Adding more unit tests for the package
enhancement
New feature or request
#42
by wehs7661
was merged Apr 16, 2024
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4 tasks done
Adding unit tests for functions that use MPI
enhancement
New feature or request
#40
by wehs7661
was merged Apr 9, 2024
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Add relevant functionalities for estimating the spectral gap uncertainties
enhancement
New feature or request
#39
by wehs7661
was merged Apr 3, 2024
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Adding example simulation inputs used in the REXEE paper
enhancement
New feature or request
#38
by wehs7661
was merged Apr 3, 2024
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Add unit tests for New feature or request
replica_exchange_EE.py, the utils module and a part of the analysis module
enhancement
#37
by wehs7661
was merged Apr 9, 2024
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4 tasks done
Some minor tweaks for the analysis codes
bug
Something isn't working
enhancement
New feature or request
#36
by wehs7661
was merged Feb 29, 2024
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Refactor weight combination schemes
documentation
Improvements or additions to documentation
enhancement
New feature or request
#31
by wehs7661
was merged Nov 2, 2023
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9 tasks done
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