Comments (1)
Thanks for raising this. We do indeed specify diameters rather than radii which is standard. However, as you notice our documentation is wrong. Thanks for pointing it out!
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Related Issues (20)
- equivariant_neural_networks imports IrrepsData that doesn't exist HOT 1
- Nose Hoover `init_fn` default mass for `RigidBody`
- Force term in NPT pressure HOT 2
- Datatype changes to `np.array` when `jit` is disabled
- Possible error in Langevin integrator's handling of PRNGkeys HOT 1
- Will Jax-MD support constraint alg like LINCS and SETTLE in the near future?
- Brownian simulations break when dt <= ~3e-8
- Better documentation needed for quantity.pair_correlation and quantity.pair_correlation_neighbor_list HOT 1
- Potential implementation for space.periodic_general HOT 4
- neighborlist in non-orthorhombic systems HOT 3
- `jax_md` installation fails from pip install with python 3.11 HOT 1
- Feature Request: Improved execution time for bonds. HOT 2
- Is there a bug in the equivariant neural network notebook? HOT 1
- FireDescent is not implemented correctly
- Is the any way could translate the Sparse neighbor list to OrderedSparse neighbor list?
- Code snippets in README.md give NaNs
- Issues with NPT + Lennard Jones using jax-md-0.2.5 HOT 2
- jax-md renderer not working HOT 1
- Readers of the paper may unintentionally access old code in the `master` branch
- NaNs for Lennard Jones potential gradients. HOT 1
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