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Submitted By: Geoff Hutchison (ghutchis)
Assigned to: Nobody/Anonymous (nobody)
Summary: Update Gasteiger code beyond sigma charges
The current Gasteiger charge model in Open Babel is clearly based
on the old Gasteiger-sigma charges and does not include later
contributions from that group.
The partial charge model should be updated to allow multiple
algorithms and a more recent Gasteiger-Marsili implementation and