Water cl2 relaxation#669
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Summary
Physicality test probing the dissociation of a hydrated Cl2 molecule, with another water and 2xCl- cluster far away, and total charge being -2. The physical behaviour is the Cl2 molecule atoms staying together because the 2- charge is localised on the cluster with Cl- ions.
Linked issue
Resolves #
Progress
Testing
MACE-MP-0a
New decorators/callbacks