ls1mardyn / ls1-mardyn

ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.

http://www.ls1-mardyn.de

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Improvements of MaxCheck plugin #326

Closed HomesGH closed 4 months ago

HomesGH commented 4 months ago

Description

This PR improves the MaxCheck plugin by allowing maximum values set to 0.0. This enables to "freeze" particles (i.e. keep particles at their position)

How Has This Been Tested?

[x] MaxCheck: Maximum velocity and force are set to 0.0 --> particles are now frozen

HomesGH commented 4 months ago

Looks good, can't see any issues, however the formatting really is all mixed up.

When I create new files, I use clang-format -style=llvm -i <FILENAME>, however this isn't a new file, and we did have arguments over clangformatting older files.

If we don't clangformat the file, then it's okay from my side.

You are right. At some point, we should enforce the "official" .clang-format file. This file may need an update before...