Samuel Newcome

> Moving the `updateContainer()` function (and possible more?) outside the if-clause could help. Yes, I implemented this as a quick hotfix and this seems to fix the problem

@thesamriel Does this still hold? Or should we say that `updateContainer` is always required?

Another thing that I forgot is that there should be some warning in md-flexible if scaling cutoff is used with functors that don't support it with Axilrod Teller (and maybe...

Also, please check the documentation pages listed by the DocTagChecker and make any user documentation changes if necessary. Finally, have you checked for the compilation of additional time costs for...

> In most cases, the efficiency is increased by the new rebuild. In some cases, however, it seems to be slower. This seems to be mainly the case for VLC,...

Hi, I do not really want to review this code with so many tests failing, as it is not really finished code. Once the CI tests pass, re-request a review...

Please could you fix the CI style check first before I review? Also, if you merge from the master, the macOS gcc14 CI should work now.

This is maybe a pain, but are you able to go back and apply `git mv` to rename the ATM functor file? Otherwise, it shows here as one file deleted...

> @SamNewcome I squeezed in an additional commit for renaming with `git mv` ([c4974ab](https://github.com/AutoPas/AutoPas/commit/c4974aba7b77fd1f3e614bcb53a80453a853f68a)), but it's still showing incorrectly for most files. It might be a GitHub issue? (see https://github.com/orgs/community/discussions/43177)...

Another thing I've spotted whilst reviewing David's branch: You count kernel calls for calculating FLOPs, meaning we include some triplets beyond the cutoff in our global FLOPs calculations, i.e. we...