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Fix ref_index of OptiSim#272

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FanwangM merged 1 commit intotheochem:mainfrom
FanwangM:fix_optisim
Dec 29, 2024
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Fix ref_index of OptiSim#272
FanwangM merged 1 commit intotheochem:mainfrom
FanwangM:fix_optisim

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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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