Open Issues Need Help
View All on GitHub handling of compute_flags about 2 months ago
AI Summary: The task is to improve the handling of `compute_flags` in the `gamdpy` molecular dynamics simulation package. Currently, disabling the computation of certain properties (like kinetic energy) requires setting `compute_flags` in both the configuration and scalar saver objects, leading to confusing error messages. The solution involves modifying the simulation object to prioritize reading `compute_flags` from the configuration object, simplifying the user experience and making the code more robust.
Complexity:
4/5
help wanted