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Add cage optimisation example with openmm #188

Merged
merged 11 commits into from
Oct 12, 2024
Merged

Add cage optimisation example with openmm #188

merged 11 commits into from
Oct 12, 2024

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andrewtarzia
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Requested Reviewers: @lukasturcani

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lukasturcani approved these changes Oct 12, 2024
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LGTM!

@lukasturcani lukasturcani merged commit e08de00 into JelfsMaterialsGroup:master Oct 12, 2024
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@andrewtarzia andrewtarzia deleted the cage_opt_example_openmm branch October 12, 2024 12:33
@andrewtarzia andrewtarzia mentioned this pull request Nov 15, 2024
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@lukasturcani lukasturcani lukasturcani approved these changes

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@andrewtarzia @lukasturcani