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Refactor: Modularize mol3D class into a package with I/O, geometry, and vectorized methods#538

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sniderg:refactor-modularize-mol3d
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Refactor: Modularize mol3D class into a package with I/O, geometry, and vectorized methods#538
sniderg wants to merge 3 commits into
hjkgrp:mainfrom
sniderg:refactor-modularize-mol3d

[pre-commit.ci] auto fixes from pre-commit hooks

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