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Commits on Oct 31, 2025

• Update tests.yaml

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Commits on Mar 6, 2024

• fix missing deallocation (#59)

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• drop support for python <3.8 (#61)

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Commits on Nov 10, 2023

• Update README.md

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Commits on Aug 6, 2023

• update README.md

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• update README.md

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Commits on Jul 28, 2023

• fix flake8 (#52)

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Commits on Jun 30, 2023

• Rename Libmbd/Pymbd to libMBD/pyMBD

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Commits on Jan 4, 2023

• [lint] add ignore for B905

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Commits on Oct 24, 2022

• [ci] update gfortran on macos

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Commits on Aug 9, 2022

• [dev] move changelog hosting to a Github wiki

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• [ci] update ubuntu runner

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• add access to intermediate vdW params to Python/C API

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• add density evaluation to Python/C API

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• add Ewald cutoff scaling to Python/C API

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Commits on Aug 2, 2022

• [ci] fix doc deps

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Commits on May 2, 2022

• [ci] fix install workflow

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Commits on Apr 26, 2022

• [ci] fix conda env creation

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• Revert "[ci] pin openmpi version to avoid bug"

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Commits on Apr 20, 2022

• [ci] pin mpich=3 build

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• [ci] pin openmpi version to avoid bug

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  3d1cd1a

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• polish CmakeFiles

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Commits on Mar 28, 2022

• [ci] fix gfortran dependence

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Commits on Mar 24, 2022

• [doc] improve infrastructure

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Commits on Mar 21, 2022

• [ci] pin MPI version in "old" runs

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Commits on Jan 31, 2022

• update black

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Commits on Jan 19, 2022

• [dev] switch to PEP 660 editable install

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• [ci] restrict all cron to main repo

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• [dev] generate changelog from tags

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• [ci] add install test

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Commits on Jan 18, 2022

• release

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• fix pymbd.__main__

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Commits on Jan 10, 2022

• [ci] restrict cron to main repo

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Commits on Dec 16, 2021

• simplify cmake call

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• [ci] use Makefile in CI

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