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computational-science
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Examples:
This page:
https://aiida.readthedocs.io/projects/aiida-core/en/v1.0.0/_modules/aiida/backends/tests/orm/utils/test_loaders.html
directs to a newer version, which is non-existing:
https://aiida.readthedocs.io/projects/aiida-core/en/v1.6.4/_modules/aiida/backends/tests/orm/utils/test_loaders.html
This page:
https://aiida.readthedocs.io/projects/
Easiest would probably be to use cffi instead of manual CPython binding.
See also conda-forge/reprozip-feedstock#11
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It would be a bit of fun to see if stk can handle building things like this: https://chemrxiv.org/articles/preprint/Isogonal_Weavings_on_the_Sphere_Knots_Links_Polycatenanes/12616268
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I was trying to figure out why we get memory leaks in osim-rl. I use a slightly different custom version of osim-rl. However, it seems that everything points towards the integrate function of the Manager. The new version of the Manager does not have a reset mechanism and therefore one must delete the manager and create a new one. I have a minimu