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Update eann.py #170

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wants to merge 1 commit into from
Closed

Update eann.py #170

wants to merge 1 commit into from

Commits on Mar 15, 2024

  1. Update eann.py 

    [Enhancement] Improved EANN Model with Hard Cutoff for Efficient Interaction Handling

- Enabled hard cutoff in EANN model, aligning with cutoff rules in XML file.
- Allows processing of larger atom pairs, minimizing unnecessary interaction counts.
    @junminchen
    junminchen authored Mar 15, 2024
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