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Swap tested UMA models
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2 files changed

+4
-4
lines changed

2 files changed

+4
-4
lines changed

tests/test_mlip_calculators.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -60,7 +60,7 @@
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SEVENNET_PATH = MODEL_PATH / "sevennet_0.pth"
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UMA_LABEL = "uma-m-1p1"
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UMA_LABEL = "uma-s-1"
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try:
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from fairchem.core import pretrained_mlip

tests/test_single_point.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -24,7 +24,7 @@
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MACE_PATH = MODEL_PATH / "mace_mp_small.model"
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NEQUIP_PATH = MODEL_PATH / "toluene.pth"
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SEVENNET_PATH = MODEL_PATH / "sevennet_0.pth"
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UMA_LABEL = "uma-m-1p1"
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UMA_LABEL = "uma-s-1"
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test_data = [
@@ -123,14 +123,14 @@ def test_potential_energy(struct, expected, properties, prop_key, calc_kwargs, i
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(
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"uma",
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"cpu",
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-27.09502286,
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-27.09960527,
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"NaCl.cif",
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{},
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),
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(
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"uma",
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"cpu",
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-27.09960527,
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-27.10070295,
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"NaCl.cif",
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{"model": UMA_LABEL},
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),

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