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Add lipid17_merged.xml to default FF settings#767

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atravitz merged 5 commits intomainfrom
update-ff-settings-lipids
Mar 24, 2026
Merged

Add lipid17_merged.xml to default FF settings#767
atravitz merged 5 commits intomainfrom
update-ff-settings-lipids

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@IAlibay
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@IAlibay IAlibay commented Mar 24, 2026

In OpenFreeEnergy/openfe#1561 we found that we had to add lipid17 to all the adaptive settings. @jthorton brought up the idea of just adding it to our default FF list since it shouldn't clash other FFs being defined.

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IAlibay added 2 commits March 24, 2026 17:09
Add lipid17_merged.xml to force field paths
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IAlibay commented Mar 24, 2026

pre-commit.ci autofix

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codecov bot commented Mar 24, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.89%. Comparing base (edb0d37) to head (9e871e1).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #767   +/-   ##
=======================================
  Coverage   98.89%   98.89%           
=======================================
  Files          43       43           
  Lines        2705     2705           
=======================================
  Hits         2675     2675           
  Misses         30       30           

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No API break detected ✅

@atravitz atravitz enabled auto-merge (squash) March 24, 2026 20:43
@atravitz atravitz merged commit 62302e7 into main Mar 24, 2026
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@atravitz atravitz deleted the update-ff-settings-lipids branch March 24, 2026 20:47
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2 participants