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Allows global parameters to be used in custom functions #80

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merged 3 commits into from
Mar 24, 2024

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This PR modifies the behavior of custom function class (AtomicFunction and CentroidFunction) constructors so that scalar named parameters become global openmm.Context parameters

@craabreu craabreu merged commit c86b6d1 into main Mar 24, 2024
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@craabreu craabreu deleted the global-params-in-custom-funcs branch April 20, 2024 23:21
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