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zerothi / sisl Public

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Bond completion (or saturation)#202

Open

tfrederiksen wants to merge 6 commits intozerothi:mainzerothi/sisl:mainfrom

tfrederiksen:bond_completiontfrederiksen/sisl:bond_completionCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Open

Bond completion (or saturation)#202
tfrederiksen wants to merge 6 commits intozerothi:mainfrom
tfrederiksen:bond_completion

Commits

Commits on Apr 8, 2020

enh: initial code for bond completion (bond saturation)
tfrederiksen
committed
maint: bond_completion with .close(..., ret_xyz=True) call
tfrederiksen
committed
maint: check bnorm first
tfrederiksen
committed
bug: determine which atom to add before looking up radius
tfrederiksen
committed
enh: let user determine which distance to be considered an existing bond
tfrederiksen
committed
doc: updated example
tfrederiksen
committed

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