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[dG] Fix extracting solvent when v-sites present on solute #126

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merged 1 commit into from
Nov 26, 2024
Merged

[dG] Fix extracting solvent when v-sites present on solute #126

merged 1 commit into from
Nov 26, 2024

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SimonBoothroyd
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Description

There was previously a typo whereby the solvent coordinate offset did not account for any virtual sites on the solute.

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  • Ready to go

@SimonBoothroyd SimonBoothroyd enabled auto-merge (squash) November 26, 2024 12:55
@SimonBoothroyd SimonBoothroyd merged commit 97d6217 into main Nov 26, 2024
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@SimonBoothroyd SimonBoothroyd deleted the sb/fix-extract-solvent-with-v-sites branch November 26, 2024 13:00
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codecov bot commented Nov 26, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.14%. Comparing base (3dd387b) to head (0f7840d).
Report is 1 commits behind head on main.

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