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1. Commits on Dec 10, 2020

   • Cleared outputs.

     

     sschoenholz

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   • Created using Colaboratory

     

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2. Commits on Dec 5, 2020

   • Minor fixes to EAM code.

     ekindogus

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   • Adding documentation for the Stillinger-Weber potential.

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   • First stab at Stillinger-Weber potential for silicon.

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3. Commits on Dec 4, 2020

   • jax.experimental.vectorize -> jax.numpy.vectorize

     

     sschoenholz

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4. Commits on Nov 24, 2020

   • Switched tests to use optax.

     

     Sam Schoenholz

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   • Switch tests to use optax.

     

     Sam Schoenholz

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   • Merge pull request #107 from google/nvt_refactor

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     sschoenholz

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   • Merge branch 'master' into nvt_refactor

     

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   • Bump version number.

     

     Sam Schoenholz

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   • Updates in response to NVT refactor.

     

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   • Update due to NVT refactor.

     

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   • Updated to reflect refactor of NVT.

     

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   • Add Nose-Hoover hamiltonian to simulate.py

     

     Sam Schoenholz

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5. Commits on Nov 20, 2020

   • Fix to vectorization of NVT Nose-Hoover. Adds Suzuki-Yoshida substeps.

     

     Sam Schoenholz

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6. Commits on Nov 12, 2020

   • Merge pull request #105 from google/issue_4881

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     sschoenholz

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   • Fixed bug when Behler-Parrinello network functions were jit.

     

     Sam Schoenholz

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7. Commits on Nov 5, 2020

   • Merge pull request #104 from amilmerchant/safe_sqrt

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     ekindogus

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   • Introduce safe_sqrt to Gupta potential

     amilmerchant

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   • Merge pull request #103 from amilmerchant/revert-102-master

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     ekindogus

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   • Revert "Add a small epsilon to the attractive term in the Gupta potential."

     amilmerchant

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   • Merge pull request #102 from amilmerchant/master

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     ekindogus

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   • Fix in response to XLA bug.

     

     sschoenholz

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     amilmerchant

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   • Brought notebook up to date with current JAX MD style.

     

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     amilmerchant

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   • Updated URL for renderer code.

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     amilmerchant

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   • Changed call to IPython.display.display.

     

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     amilmerchant

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   • Fixed bond culling across periodic boundary conditions.

     

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     amilmerchant

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   • Made example smaller for faster visualization.

     

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     amilmerchant

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   • Include scaling in Si weights.

     

     Sam Schoenholz

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     amilmerchant

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   • Update conf.py

     

     sschoenholz

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     amilmerchant

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   • Update requirements.txt

     

     sschoenholz

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     amilmerchant

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   • Updated to use new visualization tool.

     

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8. Commits on Oct 31, 2020

   • Fix in response to XLA bug.

     

     sschoenholz

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   • Brought notebook up to date with current JAX MD style.

     

     sschoenholz

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