Use rascaline calculators inside metatensor's atomistic models #253
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PicoCentauri
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PicoCentauri
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We now use metatensor_torch::System instead of our own implementation; and the calculators can request neighbors lists using metatensor API.
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This PR does two things:
rascaline.torch.Systemwithmetatensor.torch.atomistic.Systemrequested_neighbors_liststo tell the simulation engine which neighbors lists we need for rascalineThis builds on top of metatensor/metatensor#405
📚 Documentation preview 📚: https://rascaline--253.org.readthedocs.build/en/253/