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Update the MACE harness for version 0.3.9+ #464

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jthorton opened this issue Jan 14, 2025 · 0 comments
Open

Update the MACE harness for version 0.3.9+ #464

jthorton opened this issue Jan 14, 2025 · 0 comments

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@jthorton
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The newest version of pymace=0.3.9 does not allow for jit compilation of old models, a workaround is detailed here which should be included in the harness for now. While working on this we should also add support for getting the hessian from MACE.
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@jthorton