aiida-core
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aiidateam
The official repository for the AiiDA code
Sanitizing np.array from Nan and np.inf to ensure that the arrays are proper JSON and can be obtained via the REST-API. Addresses #5559
Also see #5561 In this PR the serialization isn't done on the low level for each backend but on the `NodeAttributes`/`NodeExtras` class. Added a function `deserialize_value`, which is the counterpart...
See #5340 Serialization/Deserialization of complex numbers is added to the the psql_dos and sqlite_zip backend. These are stored as objects of the form `{'__complex__': True, 'real': x.real, 'imag': x.imag}` with...
### Describe the bug An AiiDA array might contain a NaN as one cannot store None values in np.arrays. This causes that when the array is returned via the REST-API...
### Is your feature request related to a problem? Please describe When SLURM is configured to schedule [Generic RESources](https://slurm.schedmd.com/gres.html), for example GPUs on a node, then users need to ask...
In order to be able to terminate, either kill, stop or make some kind of restart state it would be convenient to be able to monitor the job while it...
I have tried a stress-test of the new AiiDA daemon after the replacement of tornado with asyncio. I have updated to the most recent develop (716a1d8f6), updated also aiida-qe to...
The exponential back off retry mechanism of the engine for calculation jobs has greatly improved the robustness with respect to temporary recoverable problems such as a loss of internet connection...
This is the last part of the implementation of https://github.com/aiidateam/aiida-core/pull/5250. In this PR, the containerized code is allowed to setting through cmdline and used in calculation. The containerized engines supported...
After upgrading to aiida v2 when I list my upf families using `verdi data core.upf listfamilies` each family is printed out once for each ufp it contains - instead of...
