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Fix failing build (test_coulomb_direct_octions) #287

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merged 5 commits into from
Aug 29, 2023

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MarcBerneman
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@MarcBerneman MarcBerneman commented Aug 29, 2023

I increased the swap size in order to avoid out-of-memory error 137.
Also, I removed 96 as a parameter to energy.coulomb_direct_neighbor_list because this function doesn't take grid_points as an argument. 96 was given to species, which is not relevant in this test. I also set fractional_coordinates to True as is done here.
I also added the use of a predefined key when adding randomness to R in tpu_test.py. Without this, one of the tests failed at some point due to mere randomness.

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codecov-commenter commented Aug 29, 2023

Codecov Report

Merging #287 (b6f95c6) into main (13511dc) will increase coverage by 0.61%.
Report is 22 commits behind head on main.
The diff coverage is 78.78%.

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@@            Coverage Diff             @@
##             main     #287      +/-   ##
==========================================
+ Coverage   82.17%   82.78%   +0.61%     
==========================================
  Files          25       27       +2     
  Lines        4986     5245     +259     
==========================================
+ Hits         4097     4342     +245     
- Misses        889      903      +14     
Files Changed Coverage Δ
jax_md/elasticity.py 81.46% <ø> (ø)
jax_md/rigid_body.py 94.27% <ø> (ø)
jax_md/simulate.py 91.38% <65.76%> (-5.45%) ⬇️
jax_md/_energy/electrostatics.py 83.68% <83.68%> (ø)
jax_md/_nn/e3nn_layer.py 93.33% <88.23%> (-0.42%) ⬇️
jax_md/_energy/__init__.py 100.00% <100.00%> (ø)
jax_md/_nn/gnome.py 75.28% <100.00%> (+38.20%) ⬆️
jax_md/_nn/nequip.py 90.11% <100.00%> (+0.11%) ⬆️
jax_md/energy.py 91.69% <100.00%> (+1.69%) ⬆️
jax_md/partition.py 88.84% <100.00%> (ø)
... and 2 more

@MarcBerneman MarcBerneman marked this pull request as ready for review August 29, 2023 10:38
@sschoenholz
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Amazing, thanks so much @MarcBerneman and @abhijeetgangan.

@sschoenholz sschoenholz merged commit e107c26 into jax-md:main Aug 29, 2023
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@MarcBerneman MarcBerneman mentioned this pull request Jan 28, 2024
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3 participants