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JAX-ReaxFF

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

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2

Last push

51mo ago

Recent commits

Latest commits.

Merge pull request #3 from lcdumort/master
84cb3adMehmet Cagri Kaymak52mo ago
replace python install by pip install
6ac84fclcdumort52mo ago
fix the bug related to the global params indexing
57c32fbkaymakme52mo ago
Update to support newer versions of JAX
459c89ekaymakme52mo ago
make # threads adjustable
538dc96kaymakme52mo ago

update setup.py

4e43142kaymakme52mo ago

fix a typo in README

9cf7c68kaymakme52mo ago

major refactoring

4734277kaymakme52mo ago

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