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fix: cutoff auto detect in calculate #62

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Dec 19, 2024
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ZeroKnighting
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This pull request includes changes to the calculate method in the src/mattersim/forcefield/potential.py file to enhance the handling of model-specific parameters. The most important changes involve the introduction of conditional cutoff values and the modification of the build_dataloader function call.

@yanghan234 yanghan234 merged commit 02efa73 into main Dec 19, 2024
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@yanghan234 yanghan234 deleted the xixian/fix_calculate_cutoff branch December 19, 2024 03:00
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