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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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Change 0/1 to true/false in xml configs #318

Closed HomesGH closed 4 months ago

HomesGH commented 4 months ago

Description

Not all booleans in the configs had been set to true/false with PR #286. This PR fixes the remaining bools in the configs.

Additionally, in the xmlfile.cpp a whitespace is added and </> in an error print is removed since also an xml-attribute (e.g. enable) can contain a boolean value.

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cniethammer commented 4 months ago

Out of interest. How did you find all these? Asking because they were not covered by the grep command I used to go through the examples originally.

HomesGH commented 4 months ago

Out of interest. How did you find all these? Asking because they were not covered by the grep command I used to go through the examples originally.

I am also wondering why the grep command didn't find them. I tried to run an example which is not included in the CI and that one failed. Then I tried to run all configs in the examples folder which guided me to the unchanged bools. By searching them in the whole code base, I fixed the found parameters globally. Since not all configs of all examples are standalone (they can depend on checkpoints of longer previous runs), I might still have missed another parameter of a plugin/etc only used there. But the chances are low...