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Bond completion (or saturation)#202

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tfrederiksen wants to merge 6 commits intozerothi:mainzerothi/sisl:mainfrom tfrederiksen:bond_completiontfrederiksen/sisl:bond_completionCopy head branch name to clipboard

+70-1

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Commits on Apr 8, 2020

• enh: initial code for bond completion (bond saturation)

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  98f44d2

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• maint: bond_completion with .close(..., ret_xyz=True) call

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  2d0d383

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• maint: check bnorm first

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  0158364

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• bug: determine which atom to add before looking up radius

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  bda662d

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• enh: let user determine which distance to be considered an existing bond

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  840d75b

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• doc: updated example

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