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Make bonded interaction checking more robust (modular simulator)

Pascal Merz requested to merge ptmerz/gromacs:bonded-interaction-checking into master

Choice on whether the number of bonded interactions should be checked during calls to the ComputeGlobalsElement used to be done at scheduling time. This works in the current setup, as domain decomposition (which might require such a check) is always done right before scheduling. As this check is requested through callbacks, it is however more robust to decide whether to perform this test at run time, not at scheduling time. This commit switches to this more robust behavior.

From: https://gerrit.gromacs.org/c/gromacs/+/16148

Change-Id: I2c54bf0152e185c10d582cf0f06ecfc911c6c68b

Edited by Pascal Merz

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