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implementation of dynamic minH-based merging #2

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martin-raden opened this issue Dec 9, 2019 · 0 comments
Open

implementation of dynamic minH-based merging #2

martin-raden opened this issue Dec 9, 2019 · 0 comments

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@martin-raden
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martin-raden commented Dec 9, 2019

theory already in https://aip.scitation.org/doi/pdf/10.1063/1.473299?class=pdf in terms of "super-basins" defined max energy barrier, see Eq. (7)

ping @s-will @entzian

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