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View All on GitHub Improve `sidemax` default behavior in `packing.py` over 1 year ago
AI Summary: Modify the mBuild Python library's `packing.py` module to improve the default behavior of the `sidemax` parameter. Instead of a hardcoded default value of 100nm, the code should dynamically calculate `sidemax` based on the dimensions of the packing box if the user doesn't explicitly specify it. This aims to optimize memory usage and performance, particularly for large packing simulations.
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mosdef-hub/mbuild mosdef-hub/mbuild A hierarchical, component based molecule builder
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A hierarchical, component based molecule builder
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