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Allow converting NB potentials with no exclusions #111

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merged 1 commit into from
Jul 17, 2024

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SimonBoothroyd
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Description

This PR adds an optional flag so that OpenFF handlers that contain NB parameters (e.g. the plugin multipole handler) but no exclusions can be converted.

Status

  • Ready to go

@SimonBoothroyd SimonBoothroyd marked this pull request as ready for review July 17, 2024 01:27
@SimonBoothroyd SimonBoothroyd enabled auto-merge (squash) July 17, 2024 01:27
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codecov bot commented Jul 17, 2024

Codecov Report

Attention: Patch coverage is 75.00000% with 2 lines in your changes missing coverage. Please review.

Project coverage is 97.96%. Comparing base (88347f5) to head (07fcdc6).

Additional details and impacted files

@SimonBoothroyd SimonBoothroyd merged commit 70bcca5 into main Jul 17, 2024
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@SimonBoothroyd SimonBoothroyd deleted the sb/nb-convert-no-excl branch July 17, 2024 01:35
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