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wip fix 579#14

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curtischong wants to merge 7 commits into
mainfrom
fix-579
Closed

wip fix 579#14
curtischong wants to merge 7 commits into
mainfrom
fix-579

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@curtischong

@curtischong curtischong commented Jun 20, 2026

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Summary

try to fix TorchSim#579
try 2 #15

Checklist

Before a pull request can be merged, the following items must be checked:

  • Doc strings have been added in the Google docstring format.
  • Run ruff on your code.
  • Tests have been added for any new functionality or bug fixes.

@curtischong

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#15 supersedes this

@curtischong curtischong closed this Jul 3, 2026
@curtischong
curtischong deleted the fix-579 branch July 25, 2026 14:29
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Batched MD with SevenNet+D3 can produce NaN trajectories while ASE remains finite

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