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Add --output-force-field to run CLI #117

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merged 1 commit into from
Feb 15, 2022
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@SimonBoothroyd SimonBoothroyd commented Feb 15, 2022

Description

This PR adds a new --output-force-field argument to the executor run CLI as a convenient way to save the bespoke FF in addition to the full result object.

Partially fixes #111

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  • Ready to go

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codecov bot commented Feb 15, 2022

Codecov Report

Merging #117 (726b27c) into main (12eebe8) will increase coverage by 4.13%.
The diff coverage is 50.00%.

@SimonBoothroyd SimonBoothroyd merged commit 423846d into main Feb 15, 2022
@SimonBoothroyd SimonBoothroyd deleted the add-output-ff-to-run-cli branch February 15, 2022 14:58
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Using resulting forcefield
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