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changed QMMM LRcutoff from center of mass-based to geometric center based

username-removed-559845 requested to merge asod/ase:qmmm_lrcut_geometric_center into master

Changes to go along with bugfixes in the gpaw MR here: https://gitlab.com/gpaw/gpaw/merge_requests/202#note_31706346

Updates following shortly in the other MR.

Edited by username-removed-559845

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