Comments (3)
hanjq17
commented on April 28, 2024
Any progress in this aspect?
Thanks!
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sschoenholz
commented on April 28, 2024
Yes, actually! Support for rigid bodies will be the next large update to jax md (work with a number of folks at harvard and @cpgoodri). I don't have a precise eta, but I would guess there will be something to use by November.
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hanjq17
commented on April 28, 2024
Thank you so much! Eagerly expecting the new features!
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Related Issues (20)
- nequip uses legacy e3nn-jax modules HOT 3
- module 'jax.tree_util' has no attribute 'register_pytree_with_keys_class'
- Inconsistency using NpT and space.periodic_general
- Neighborlist shape changes when updated with 2D box
- Question: Particularities of Autodifferentiation for Forces
- Cannot import 'FunctionalFullyConnectedTensorProduct' from 'e3nn_jax' HOT 1
- test_nequip_silicon in energy_test.py is broken.
- test_nve_2d_neighbor_list_multi_atom_species in rigid_body_test.py is broken HOT 1
- documentation not compiling 2
- Elasticity calculations involving rigid bodies
- Out Of Memory issue during neighbor list generation
- Inconsistence of periodic and periodic_general
- equivariant_neural_networks notebook is broken
- Question about npt simulation HOT 2
- AttributeError: module 'jax.random' has no attribute 'KeyArray' HOT 1
- Neighbor lists are broken for rigid bodies.
- PME Energies
- AttributeError: module 'jax' has no attribute 'linear_util'
- ImportError in the example notebooks
- Run sample notebooks as of 13 April 2024. HOT 2
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