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Use HMR and adaptive MBAR solver when computing dG #120

Merged
merged 2 commits into from
Nov 9, 2024
Merged

Use HMR and adaptive MBAR solver when computing dG #120

merged 2 commits into from
Nov 9, 2024

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SimonBoothroyd
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Description

This PR adds HMR support to the generate Gsolv helper, and also fixes a typo in the incorrect state path name.

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  • Ready to go

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codecov bot commented Nov 9, 2024 •
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.14%. Comparing base (31dc20b) to head (dcb1473).
Report is 1 commits behind head on main.

Additional details and impacted files

@SimonBoothroyd SimonBoothroyd changed the title Use HMR for Gsolv and fix typo Use HMR for Gsolv and adaptive MBAR solver Nov 9, 2024
@SimonBoothroyd SimonBoothroyd changed the title Use HMR for Gsolv and adaptive MBAR solver Use HMR and adaptive MBAR solver when computing dG Nov 9, 2024
@SimonBoothroyd SimonBoothroyd merged commit a6ea409 into main Nov 9, 2024
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@SimonBoothroyd SimonBoothroyd deleted the sb/fix-typos-add-hmr branch November 9, 2024 17:12
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@SimonBoothroyd