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refactor: update MatterSimCalculator #36

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refactor: update MatterSimCalculator #36

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ZeroKnighting
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@yanghan234 yanghan234 changed the title Xixian/fix matter sim calculator refactor: update MatterSimCalculator Dec 3, 2024
@yanghan234 yanghan234 self-requested a review December 3, 2024 05:18
luzihen
luzihen approved these changes Dec 3, 2024
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modify the example to explicitly state the ckpt. also add a comment to that to tell user that is the place to pass the variable on model ckpt.

@yanghan234 yanghan234 marked this pull request as draft December 3, 2024 06:12
@yanghan234 yanghan234 closed this Dec 3, 2024
@ZeroKnighting ZeroKnighting deleted the xixian/fix_MatterSimCalculator branch December 3, 2024 15:44
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@luzihen luzihen luzihen approved these changes

@yanghan234 yanghan234 yanghan234 approved these changes

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@ZeroKnighting @luzihen @yanghan234