Bond completion (or saturation) - #202

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tfrederiksen wants to merge 6 commits into

zerothi:mainfrom

tfrederiksen:bond_completion

Commits on Apr 8, 2020

enh: initial code for bond completion (bond saturation)
tfrederiksen
committed
98f44d2
maint: bond_completion with .close(..., ret_xyz=True) call
tfrederiksen
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2d0d383
maint: check bnorm first
tfrederiksen
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0158364
bug: determine which atom to add before looking up radius
tfrederiksen
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bda662d
enh: let user determine which distance to be considered an existing bond
tfrederiksen
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840d75b
doc: updated example
tfrederiksen
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a5f5d11