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Merge 09d29b8 into 2ff7350
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jan-janssen committed May 6, 2024
2 parents 2ff7350 + 09d29b8 commit c22d589
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2 changes: 1 addition & 1 deletion .ci_support/environment-matgl.yml
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
channels:
- conda-forge
dependencies:
- matgl =0.9.2
- matgl =1.0.0
2 changes: 1 addition & 1 deletion tests/test_ase_interface/test_evcurve_ase_matgl.py
Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,7 @@
class TestEvCurve(unittest.TestCase):
def test_calc_evcurve(self):
structure = bulk("Al", cubic=True)
ase_calculator = M3GNetCalculator(matgl.load_model("M3GNet-MP-2021.2.8-PES"))
ase_calculator = M3GNetCalculator(matgl.load_model("M3GNet-MP-2021.2.8-PES", force_download=True))
task_dict = optimize_positions_and_volume(structure=structure)
result_dict = evaluate_with_ase(
task_dict=task_dict,
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