Markus Mühlhäußer
Markus Mühlhäußer
I added a bit of an explanatory file about the Axilrod-Teller calculation in a6029a3 However, our doc-check does not like the md-file with latex formulas. Do you have any idea...
> There doesn't appear to be any unit test for two autotuners acting in synchronisation. This should be added before merging to master. (If I've forgotten that one exists lmk)...
## Update after the first Review Round - Merged many functions to reduce code duplication - Removed `TunerSynchronizer`, because the current functionality is easily handled with a few lines in...
Welcome to another Round of 3-Body traversal implementations: ## New Updates after Review Round 2 **Internal counters are updated within a call to the `LogicHandler::updateContainer()` method** This method is supposed...
Regarding the open questions from our discussion: - If one tuner has to wait for another, it already uses the optimal configuration. - The remainder traversal is two thirds parallelized....
> Just for reproducibility of the plots, I'd suggest you append your full input, mark which one is your free parameter, and what exact revision of master you are comparing...
Potentially, we can simply change the order of calculations in our time loop. From our current order **x** -> **F** -> **v** to: **F** -> **v** -> **x**
Last week, we collectively decided that we deliberately leave out the initial force computation for the reasons stated above by @FG-TUM. **The following is in my opinion most likely to...
Probably related to #771
Really nice to open an issue here! Firstly, I'd say we don't need to worry about mixing at all, since this functor is only to be used with Argon atoms...