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.
The older implementation had bugs pointed out in #324 . The CSV file requirement is now removed, and configs can be given directly through the XML. all-options and the docstrings have been updated (hopefully nothing has slipped through).
Resolved Issues
[x] #324
How Has This Been Tested?
Used various setups, including the setup in #324, seems to be working
Description
The older implementation had bugs pointed out in #324 . The CSV file requirement is now removed, and configs can be given directly through the XML. all-options and the docstrings have been updated (hopefully nothing has slipped through).
Resolved Issues
How Has This Been Tested?
Used various setups, including the setup in #324, seems to be working