Samuel Newcome
Samuel Newcome
**Describe the bug** You can't compile AutoPas on the ARM minicluster. This does not appear related to it being an ARM architecture but that it does not have much software....
# Description Add 3-body handling to AutoPas in the form of ~an `iterateTriwisePipeline` function that operates similarly to the `iteratePairwisePipeline` but uses~ a 3-body traversal. Configurations for 3-body interactions are...
# Description Rules Based Tuning (and dependencies ANTLR and uuid) are optional. This has two purposes: 1. Speed up compilation of fresh builds. ANTLR takes up a lot of compilation...
# Description The FLOP counter functor was removed as it was too rigid. See #841 for more details on this "rigidity". The proposed alternative for counting FLOPs was for it...
**Is your feature request related to a problem? Please describe.** Adding dependencies to AutoPas can lead to frustrating compatibility/compilation issues. We have 3/4 dependencies in AutoPas that are just used...
**Is your feature request related to a problem? Please describe.** Rather than triggering rebuilds when particles break the Verlet skin, move them to the particle buffer. Inside the particle buffer,...
**Is your feature request related to a problem? Please describe.** This issue is based not on the current master branch (as of 13/05/2024) but on the state of the code...
**Is your feature request related to a problem? Please describe.** The functors developed in PR #810 do not include any global calculations. Global calculations should be added. **Describe the solution...
# Description Implements two functors that implement purely-LJ interactions between two multi-site molecules using AVX512 functors. 1) Gathe&Scatter / Centre-of-Mass cutoff criterion: - Cutoff criterion: If two molecules' centre-of-masses are...
**Is your feature request related to a problem? Please describe.** AVX512 is more and more common these days - we really should have a force functor which uses these instructions....