Update README.md
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README.md
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@@ -30,7 +30,8 @@ atoms = Atoms("NaCl")
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calculator = MACECalculator(
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model_paths=/path/to/pretrained.model,
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device=device
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)
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atoms.calc = calculator
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@@ -68,7 +69,7 @@ If you use the pretrained models in this repository, please cite all the followi
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@misc {yuan_chiang_2023,
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author = { {Yuan Chiang} },
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title = { mace-universal (Revision e5ebd9b) },
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year = 2023,
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url = { https://huggingface.co/cyrusyc/mace-universal },
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calculator = MACECalculator(
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model_paths=/path/to/pretrained.model,
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device=device,
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default_dtype="float32" or "float64",
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)
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atoms.calc = calculator
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@misc {yuan_chiang_2023,
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author = { {Yuan Chiang, Philipp Benner} },
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title = { mace-universal (Revision e5ebd9b) },
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year = 2023,
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url = { https://huggingface.co/cyrusyc/mace-universal },
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