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lines changed Original file line number Diff line number Diff line change 1010from ase .io import read , write
1111import pytest
1212
13- from ml_peg .calcs .utils .utils import get_benchmark_data
13+ from ml_peg .calcs .utils .utils import download_s3_data
1414from ml_peg .models .get_models import load_models
1515from ml_peg .models .models import current_models
1616
@@ -37,7 +37,13 @@ def test_lattice_energy(mlip: tuple[str, Any]) -> None:
3737 calc = model .add_d3_calculator (calc )
3838
3939 # Download data
40- data_dir = get_benchmark_data ("dmc-ice13-main.zip" ) / "dmc-ice13-main/INPUT/VASP"
40+ data_dir = (
41+ download_s3_data (
42+ key = "inputs/molecular_crystal/DMC_ICE13/DMC_ICE13.zip" ,
43+ filename = "DMC_ICE13.zip" ,
44+ )
45+ / "dmc-ice13-main/INPUT/VASP"
46+ )
4147
4248 with open (data_dir / "../../ice_polymorph_ref_PBE_D3.json" , encoding = "utf8" ) as f :
4349 ice_ref = json .load (f )
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