Dynamic AA to avoid stackoverflow #20
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added 2 commits
June 18, 2024 21:51
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this is now working locally. I will try to fix CI though. |
cortner
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cortner
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@YangshuaiWang -- this is now registered as 0.0.3. I have ensured that unit tests pass, but that's all. Are you able to try this out with ACEpotentials and computing a hessian? |
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@YangshuaiWang - this PR is to implement a variation of the "fast ACE evaluator" that allows for larger models without the stack overflow that you've been experiencing. This looks already promising, I think I can get it done this week and then you should be able to use it to evaluate hessians.