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Description
With more and more finetuning und multimodal modal containing many heads it would be useful to select different energy heads when using a metatomic model in an engine. For example for the ASE calculator adding a new parameter head
or similar to
metatomic/python/metatomic_torch/metatomic/torch/ase_calculator.py
Lines 62 to 72 in 67a6a74
def __init__( | |
self, | |
model: Union[FilePath, AtomisticModel], | |
*, | |
additional_outputs: Optional[Dict[str, ModelOutput]] = None, | |
extensions_directory=None, | |
check_consistency=False, | |
device=None, | |
non_conservative=False, | |
do_gradients_with_energy=True, | |
): |
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