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Equilibration settings - #94

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mattwthompson wants to merge 3 commits into
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equilibration-settings
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Equilibration settings#94
mattwthompson wants to merge 3 commits into
mainfrom
equilibration-settings

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Closes #92

@mattwthompson
mattwthompson force-pushed the equilibration-settings branch from a6f10cb to 5017f20 Compare August 4, 2026 12:41
@mattwthompson
mattwthompson changed the base branch from compute-layer to main August 4, 2026 12:42
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codecov-commenter commented Aug 4, 2026

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Codecov Report

❌ Patch coverage is 0% with 16 lines in your changes missing coverage. Please review.
✅ Project coverage is 66.76%. Comparing base (e7a07a2) to head (432daf1).

Files with missing lines Patch % Lines
dimsim/compute/_equilibrate.py 0.00% 6 Missing ⚠️
dimsim/compute/equilibration.py 0.00% 6 Missing ⚠️
dimsim/compute/_ensemble.py 0.00% 4 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #94      +/-   ##
==========================================
- Coverage   67.35%   66.76%   -0.60%     
==========================================
  Files          26       28       +2     
  Lines        1685     1700      +15     
==========================================
  Hits         1135     1135              
- Misses        550      565      +15     

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Add equilibration configs

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