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Fix ref_index of OptiSim #272

Merged
merged 1 commit into from
Dec 29, 2024
Merged

Fix ref_index of OptiSim #272

merged 1 commit into from
Dec 29, 2024

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FanwangM
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The original implementation sets ref_index of OptiSim to be None, which can be problematic when the fun_dist is None. Setting it to be 0 fixes the problem.

@FanwangM FanwangM merged commit 2367dae into theochem:main Dec 29, 2024
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