JAX MD release v0.1.23
sschoenholz
released this
15 Jan 15:23
·
299 commits
to main
since this release
Improves and adds support for a number of mechanical properties.
Changes:
- Adds
perturbation
parameter to all spaces. - Fixes pressure computation.
- Adds stress tensor computation to
quantity.py
. - Carl Goodrich (@cpgoodri) added support for athermal linear elasticity computations in
elasticity.py
, along with a great colab notebook! - Patrick Marks (@pmarks) improved neighbor lists by switching to int32 for indices.
- Maxi Lechner (@MaxiLechner) added an implicit differentiation notebook combining JAX MD with JaxOpt.