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Calculator required to have 'implemented_properties' and 'nolabel' de…
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paulsaxe committed Aug 2, 2024
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2 changes: 2 additions & 0 deletions HISTORY.rst
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History
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2024.8.2.1 -- Calculator required to have 'implemented_properties' and 'nolabel' defined

2024.8.2 -- Initial version


3 changes: 3 additions & 0 deletions seamm_ase/seamm_ase.py
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Expand Up @@ -57,6 +57,9 @@ def calculator(
calculator.
"""

implemented_properties = ["energy", "forces"]
nolabel = True

def __init__(self, step, **kwargs):
"""
Parameters
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