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0.2.0 release - #15

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ianmkenney merged 27 commits into
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Feb 22, 2022
Merged

0.2.0 release#15
ianmkenney merged 27 commits into
masterfrom
develop

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@ianmkenney

@ianmkenney ianmkenney commented Feb 22, 2022

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What changed

  • SVD solver method for MLE
  • Migrated to pyproject.toml from setup.py
  • Documentation was added to read the docs
  • Tests are now run with GitHub actions on Ubuntu
  • Error estimates for state free energies and rate constants have been added

ianmkenney and others added 27 commits February 11, 2022 12:11
* Added new test for SVD
* Left test for old behavior c.MLE(svd=False)
* Cleaned up formatting of old tests
Also collect microstates with the scanner
Test should ignore known warnings
Also removed the monte carlo functionality

More docstrings
Errors for forward and backward rates were being reported as equal
Implementation of projected rate errors was not translated correctly
from mathematica. New tests have been added.
effective_energy_difference now returns an error estimate for the
macroscopic free energy difference. Tests have also been added for the 4
state sodium proton antiporter model
Getting CI working through github actions
RTD config file and basic usage documentation
@ianmkenney ianmkenney self-assigned this Feb 22, 2022
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codecov Bot commented Feb 22, 2022

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❗ No coverage uploaded for pull request base (master@f317900). Click here to learn what that means.
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@@            Coverage Diff             @@
##             master       #15   +/-   ##
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  Coverage          ?   100.00%           
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  Files             ?         4           
  Lines             ?       340           
  Branches          ?         0           
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  Hits              ?       340           
  Misses            ?         0           
  Partials          ?         0           

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@ianmkenney
ianmkenney merged commit 36921c1 into master Feb 22, 2022
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