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QM/MM: full-ESPF covalent-boundary embedding under TB dispatch (fixes DFTB link-atom energy conservation, enables xTB QM/MM)#270

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QM/MM: full-ESPF covalent-boundary embedding under TB dispatch (fixes DFTB link-atom energy conservation, enables xTB QM/MM)#270
karmachoi wants to merge 84 commits into
feat/openqp-xtb-adapterfrom
feat/xtb-qmmm-fullespf

Merge codex/soc-namd-options: full-ESPF covalent-boundary QM/MM under…

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