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feat: add the MIPS model of AOUPs subjected to the WCA potential #11

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merged 10 commits into from
Jun 7, 2024

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@jung235 jung235 commented Jun 6, 2024

  • Add the Weeks-Chandler-Andersen (WCA) potential wca_potential.
  • Add PhaseSeparation.
    • As the number of particles increases, JAX precision should be forced to x64.
    • self.precision_x64 = True is automatically used.

@jung235 jung235 self-assigned this Jun 6, 2024
@jung235 jung235 added the enhancement New feature or request label Jun 6, 2024
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codecov bot commented Jun 6, 2024

Codecov Report

Attention: Patch coverage is 42.05607% with 62 lines in your changes missing coverage. Please review.

Project coverage is 53.80%. Comparing base (c9c3c05) to head (3c4e81d).
Report is 1 commits behind head on main.

Additional details and impacted files

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@@            Coverage Diff             @@
##             main      #11      +/-   ##
==========================================
- Coverage   54.89%   53.80%   -1.09%     
==========================================
  Files          33       34       +1     
  Lines        1124     1221      +97     
==========================================
+ Hits          617      657      +40     
- Misses        507      564      +57     
Files Coverage Δ
pydiffuser/__init__.py 100.00% <ø> (ø)
pydiffuser/_cli/cli_utils.py 0.00% <ø> (ø)
pydiffuser/models/__init__.py 100.00% <100.00%> (ø)
pydiffuser/models/abp.py 37.50% <ø> (ø)
pydiffuser/models/core/ctrw.py 38.59% <ø> (ø)
pydiffuser/models/core/sde.py 27.63% <ø> (ø)
pydiffuser/models/aoup.py 45.71% <75.00%> (+5.08%) ⬆️
pydiffuser/tracer/ensemble.py 42.94% <50.00%> (+0.08%) ⬆️
pydiffuser/models/core/base.py 83.63% <81.81%> (-0.21%) ⬇️
pydiffuser/models/vicsek.py 24.39% <0.00%> (ø)
... and 2 more

@jung235 jung235 marked this pull request as ready for review June 7, 2024 00:36
@jung235 jung235 merged commit 4fb21ef into main Jun 7, 2024
7 checks passed
@jung235 jung235 deleted the feat/add-mips branch June 7, 2024 00:36
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