up #11
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up #11
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* [pre-commit.ci] pre-commit autoupdate updates: - [github.com/psf/black: 22.12.0 → 23.1.0](psf/black@22.12.0...23.1.0) * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* Produce n=2 when ports are not capped * Add option to not scale charges in lj units, and update docs for consistency * Update mbuild/formats/lammpsdata.py Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> --------- Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com>
* Update fill_region bounds and docstring to be more explicit * Fix type error caused by treating box as list * fix backword none check * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * [pre-commit.ci] pre-commit autoupdate (#1089) * [pre-commit.ci] pre-commit autoupdate updates: - [github.com/psf/black: 22.12.0 → 23.1.0](psf/black@22.12.0...23.1.0) * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Lammps lj unit charges (#1086) * Produce n=2 when ports are not capped * Add option to not scale charges in lj units, and update docs for consistency * Update mbuild/formats/lammpsdata.py Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> --------- Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> * Update fill_region bounds and docstring to be more explicit * Fix type error caused by treating box as list * fix backword none check * Add unit tests for new errors * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Jennifer A Clark <jennifer.a.clark13@gmail.com> Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com>
* replaced bondgraph with networkx * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * misc fix for docs * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * use more particles in residue map testing to ensure actually faster * reduced number of children and grandchildren in test_nested_compound * commented out silica_interface test * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: Christopher Iacovella <cri@MB22.local> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> Co-authored-by: Co Quach <daico007@gmail.com>
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