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1. Commits on Sep 8, 2022

   • Fix doc builds (#622)

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     mikemhenry

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2. Commits on Sep 2, 2022

   • add python 3.10 to CI (#619)

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     mikemhenry

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3. Commits on Aug 3, 2022

   • Merge pull request #617 from choderalab/release-0.21.5

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     zhang-ivy

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   • fix formatting

     zhang-ivy

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4. Commits on Aug 2, 2022

   • More informative changelog entries. Updated pull request template to ask for a changelog message.

     ijpulidos

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   • Release 0.21.5 - bugfix release candidate. Added entries in changelog.

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   • `LangevinDynamicsMove` now accepts `constraint_tolerance` parameter (#611)

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   • Merge pull request #613 from choderalab/612-serialized-velocities-fix

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     zhang-ivy

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   • Merge branch 'main' into 612-serialized-velocities-fix

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   • Building path using os library instead of f-strings. (#616)

     ijpulidos

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   • Merge branch 'main' into 612-serialized-velocities-fix

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5. Commits on Aug 1, 2022

   • Comment on fix for enabling reading from older serialized objects.

     ijpulidos

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   • Reworking class inheritance for resuming serialized objects test.

     ijpulidos

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   • Fix equilibration detection (#610)

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     zhang-ivy

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6. Commits on Jul 29, 2022

   • Add velocities variable to storage and initialize velocities to zeros if not found.

     ijpulidos

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   • Test resuming from legacy reporter files (no velocities). Adding test files.

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7. Commits on Jul 28, 2022

   • Restore velocities only if found in serialized nc file. Back compatibility for older nc files.

     ijpulidos

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8. Commits on Jul 20, 2022

   • pin pymbar to stay on 3.x version

     mikemhenry

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   • Adding major contributors (#606)

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     ijpulidos

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9. Commits on Jul 19, 2022

   • Logs directly used platform in minimization and propagation of replicas (#605)

     ijpulidos

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10. Commits on Jul 14, 2022

    • Fixes #599 : Change LangevinDynamicsMove to use openmm.LangevinMiddleIntegrator instead of openmm.LangevinIntegrator (#600)

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      jchodera

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      ijpulidos

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    • Returning velocities in sampler state when propagating replicas (#602)

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      ijpulidos

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11. Commits on Jun 8, 2022

    • Release 0.21.4 - bugfix release (#590)

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      ijpulidos

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12. Commits on Jun 7, 2022

    • Handling unsampled states in offline/realtime analysis. (#593)

      ijpulidos

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13. Commits on Jun 2, 2022

    • fixes choderalab/openmmtools#579 (#587)

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      jfennick

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      ijpulidos

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14. Commits on Jun 1, 2022

    • Allow overriding of n_equilibration_iterations and statistical_inefficiency args for computation of free energy (#586)

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      zhang-ivy

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      ijpulidos

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15. Commits on May 31, 2022

    • Fix for issue #539 (#588)

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      mjw99

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16. Commits on May 27, 2022

    • Fix performance estimates (#578)

      ijpulidos

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17. Commits on May 12, 2022

    • Fix GPU CI

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      mikemhenry

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18. Commits on May 6, 2022

    • Merge pull request #580 from choderalab/feat/add_gpu_ci

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      mjw99

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    • pin ubuntu version and bump checkout action version

      mikemhenry

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    • sort the deps, remove whitespace, remove double cython entry

      mikemhenry

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    • Merge branch 'main' into feat/add_gpu_ci

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19. Commits on Apr 25, 2022

    • Force statistical inefficiency computation to use self.max_n_iterations (#577)

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      zhang-ivy

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20. Commits on Apr 22, 2022

    • Add self hosted aws gpu testing

      mikemhenry

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