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lambench/tasks/direct/direct_tasks.yml

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ANI:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/ANI"
2+
test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/ANI"
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HEA25_S:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/HEA25S"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/HEA25S"
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HEA25_bulk:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/HEA25"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/HEA25"
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MoS2:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/MoS2"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/MoS2"
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MD22:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/MD22"
10+
test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/MD22"
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REANN_CO2_Ni100:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/REANN_CO2_Ni100"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/REANN_CO2_Ni100"
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NequIP_NC_2022:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/NequIP_NC_2022"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/NequIP_NC_2022"
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AIMD-Chig:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/AIMD_chig"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/AIMD_chig"
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Cu_MgO_catalysts:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/Cu_MgO_CO2"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/Cu_MgO_CO2"
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dispersion_correction: d3zero
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Si_ZEO22:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/Si_ZEO22"
21+
test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/Si_ZEO22"
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dispersion_correction: d3bj
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HPt_NC_2022:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/HPt_NC2022"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/HPt_NC2022"
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Ca_batteries_CM2021:
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test_data: "/bohr/lambench-ood-zwtr/v3/LAMBench-TestData-v3/Ca_batteries"
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test_data: "/bohr/lambench-ood-zwtr/v4/LAMBench-TestData-v3/Ca_batteries"
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## DEPRECATED
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# Collision:
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# test_data: "/bohr/lambench-ood-zwtr/v2/LAMBench-TestData-v2/Collision"

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