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MACE with params file #61

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PythonFZ opened this issue Apr 11, 2023 · 0 comments · Fixed by #69
Closed

MACE with params file #61

PythonFZ opened this issue Apr 11, 2023 · 0 comments · Fixed by #69

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@PythonFZ
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Instead of hard coding the inputs for mace create a yaml input file:

e.g. convert --hidden_irreps='128x0e + 128x1o' to

hidden_irreps: 128x0e + 128x1o
@PythonFZ PythonFZ linked a pull request Apr 13, 2023 that will close this issue
mace config file #69
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mace config file zincware/IPSuite
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