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Commits on Apr 23, 2024

• ENH: Upstream GROMACS atom type merging

  

  mattwthompson

  and

  pbuslaev

  committedApr 23, 2024
  13e2b77

Commits on Apr 4, 2024

• Lint

  mattwthompson

  committedApr 4, 2024
  1904d1b

• Merge branch 'more-typing' into drop-py39

  mattwthompson

  committedApr 4, 2024
  c983530

Commits on Mar 26, 2024

• BUG: Do not use toolkit to look up virtual site parameters

  mattwthompson

  committedMar 26, 2024
  128d549

Commits on Mar 19, 2024

• REF: Move combination logic into a new file

  mattwthompson

  committedMar 19, 2024
  80b860a

Commits on Mar 13, 2024

• MAINT: Remove MDAnalysis from tests

  mattwthompson

  committedMar 13, 2024
  16b298c

Commits on Mar 1, 2024

• REF: Remove interop.internal module

  mattwthompson

  committedMar 1, 2024
  a740b2e

Commits on Feb 16, 2024

• Remove pydantic/pydantic#5192 fix

  mikemhenry

  committedFeb 16, 2024
  f12cae7

Commits on Feb 9, 2024

• FIX: Add file

  mattwthompson

  committedFeb 9, 2024
  1783155

• MAINT: Typing updates

  mattwthompson

  committedFeb 9, 2024
  7dc5745

Commits on Jan 29, 2024

• LINT: Lint for new tool versions

  mattwthompson

  committedJan 29, 2024
  a24d6bf

Commits on Oct 31, 2023

• REF: Use OpenFF Recharge's position implementation

  mattwthompson

  committedOct 31, 2023
  f790edb

Commits on Oct 21, 2023

• MAINT: Update versioneer

  

  mattwthompson

  and

  Yoshanuikabundi

  committedOct 21, 2023
  baffda4

Commits on Oct 9, 2023

• API: Allow user-specified Ewald tolerance with OpenMM

  mattwthompson

  committedOct 9, 2023
  80dd523

Commits on Oct 5, 2023

• FIX: Don't collate virtual sites to OpenMM

  mattwthompson

  committedOct 5, 2023
  3c43a94

Commits on Sep 18, 2023

• API: Publicize SMIRNOFF collections

  mattwthompson

  committedSep 18, 2023
  d78e5cf

Commits on Jun 19, 2023

• MAINT: Various testing/style tweaks

  mattwthompson

  committedJun 19, 2023
  b969f80

Commits on Apr 18, 2023

• Merge remote-tracking branch 'upstream/main' into amber-perf-1

  mattwthompson

  committedApr 18, 2023
  1b6873f

• FIX: Fix import paths, annotations, tests

  mattwthompson

  committedApr 18, 2023
  8d422b3

• MAINT: Privatize tests and un-tested modules

  mattwthompson

  committedApr 18, 2023
  b7a72b4

Commits on Apr 17, 2023

• Merge remote-tracking branch 'upstream/main' into py39-annotations

  mattwthompson

  committedApr 17, 2023
  931664b

• REF: Re-organized Foyer module

  mattwthompson

  committedApr 17, 2023
  7780d43

Commits on Apr 14, 2023

• TST: Add basic test for from_openmm

  mattwthompson

  committedApr 14, 2023
  061440f

Commits on Apr 6, 2023

• Merge remote-tracking branch 'upstream/main' into tests-and-fixes

  mattwthompson

  committedApr 6, 2023
  5dffa56

Commits on Mar 28, 2023

• REF: Split GROMACS helpers into import and export

  mattwthompson

  committedMar 28, 2023
  b5647b1

Commits on Mar 23, 2023

• MYPY: Pin to 1.0.1

  mattwthompson

  committedMar 23, 2023
  3375817

Commits on Mar 14, 2023

• LINT: Update flake8 ignores

  mattwthompson

  committedMar 14, 2023
  992124a

Commits on Mar 12, 2023

• ENH: Process GBSAHandlers

  mattwthompson

  committedMar 12, 2023
  94824b6

Commits on Mar 3, 2023

• FIX: Fix virtual sites not given exceptions

  mattwthompson

  committedMar 3, 2023
  0cfb3cc

Commits on Feb 18, 2023

• ENH: Store potential parameters on classes

  mattwthompson

  committedFeb 18, 2023
  4ae3350

Commits on Feb 6, 2023

• TST: Update test plugins

  mattwthompson

  committedFeb 6, 2023
  e2a7bc7

Commits on Feb 3, 2023

• ENH: Store custom non-bonded SMIRNOFF types

  mattwthompson

  committedFeb 3, 2023
  3a00c6d

Commits on Jan 21, 2023

• MAINT: Run pre-commit autoupdate

  mattwthompson

  committedJan 21, 2023
  f56af36

Commits on Jan 3, 2023

• FIX: Run mypy without JAX installed

  mattwthompson

  committedJan 3, 2023
  d72f2f3

Commits on Jan 2, 2023

• MYPY: Update annotations and configuration

  mattwthompson

  committedJan 2, 2023
  0d68f7f

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