8000 Commits · amilmerchant/jax-md · GitHub

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Commits

Commits on Nov 27, 2022

Created using Colaboratory
amilmerchant
committed

Commits on Apr 24, 2021

Bump version.
Sam Schoenholz
committed
Merge branch 'master' of https://github.com/google/jax-md
Sam Schoenholz
committed
Keyword arguments are now pssed through to Stillinger Weber and BKS Silica potentials.
Sam Schoenholz
committed

Commits on Apr 22, 2021

Remove some extraneous output.
sschoenholz
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Fix due to simulation refactor.
sschoenholz
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Merge branch 'master' of https://github.com/google/jax-md
Sam Schoenholz
committed
Bumping version number.
Sam Schoenholz
committed

Commits on Apr 21, 2021

Merge pull request #133 from google/simulation_refactor_2
sschoenholz
authored

Commits on Apr 20, 2021

Reran notebook after pressure calculation fix.
sschoenholz
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Added missing factor of two to pressure calculation.
sschoenholz
authored

Commits on Apr 19, 2021

Improvements to simulation documentation.
sschoenholz
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Rename `stillinger_weber_energy` to `stillinger_weber`.
sschoenholz
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Added NPT to simulation list.
sschoenholz
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First pass at NPT simulation notebook.
sschoenholz
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Added keyword argument to neighbor list energy functions.
Sam Schoenholz
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One more keyword argument.
sschoenholz
authored
Small fix to dynamically updated pressure in NPT simulation.
sschoenholz
authored
Threading keyword arguments to .
Sam Schoenholz
committed

Commits on Apr 18, 2021

One more try at threading kwargs through .
Sam Schoenholz
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Thread keyword arguments through the function.
Sam Schoenholz
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Merge branch 'simulation_refactor_2' of https://github.com/google/jax-md into simulation_refactor_2
Sam Schoenholz
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Hooked up code to update pressure during NPT simulations.
Sam Schoenholz
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Fixed small typo in text.
sschoenholz
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Clean up and update from refactor.
sschoenholz
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Small typing fixes.
Sam Schoenholz
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NPT Simulation Refactor. First pass.
Sam Schoenholz
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Commits on Mar 25, 2021

Added calls to NeighborList construction.
Sam Schoenholz
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Commits on Mar 15, 2021

Fixed bug in .
Sam Schoenholz
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Small fix to pair_correlation when zero is passed as a radius.
Sam Schoenholz
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Commits on Mar 12, 2021

Bump version.
Sam Schoenholz
committed
Merge pull request #127 from google/periodic_general_refactor
sschoenholz
authored
Updated in response to periodic_general refactor.
sschoenholz
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Periodic general refactor.
Sam Schoenholz
committed

Commits on Mar 11, 2021

First pass at LJ benchmark following HOOMD-Blue.
sschoenholz
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