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JAX MD release v0.1.26
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@sschoenholz sschoenholz released this 23 Apr 16:45
· 238 commits to main since this release
jax-md-v0.1.26
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NPT Fixes, documentation, and neighbor list improvements.

Changes:

  • Significant documentation improvements by @adrhill.
  • Add custom mask function to neighbor lists by @oliverdutton.
  • Small fixes to renderer.
  • Fixes to NPT simulation environment using fixed equation for pressure in v0.1.23.
  • Add SyMD (symmetric molecular dynamics) example notebook based on https://github.com/whitead/symd.

Contributors

adrhill and oliverdutton
Assets 2