Merge qmmm branch
Provisional QMMM calculator for ASE. Naming of things may still change. The SimpleQMMM (subtractive) should work with any pair of ASE calculators. The EIQMMM (explicit-interaction or additive) currently only works with TIP3P+GPAW.
Do not update/delete: Banner broadcast message test data
Do not update/delete: Notification broadcast message test data
Provisional QMMM calculator for ASE. Naming of things may still change. The SimpleQMMM (subtractive) should work with any pair of ASE calculators. The EIQMMM (explicit-interaction or additive) currently only works with TIP3P+GPAW.