Add 'bonddipole' mode to 'vector' action #1154
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… is calculated from individual bonds, using electronegativity to orient them
…at the calculated bond average origin
drroe
added
enhancement
Experimental
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Version 6.29.18.
This is a slightly different version of
vector dipolethat attempts to orient the dipole in the "regular" way (origin at positive charge, pointing to negative charge) and tries to center the dipole vector itself. Still a work in progress so no documentation yet.