aiida-core
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aiidateam
The official repository for the AiiDA code
fix #2435 The `verdi data trajectory show` command was broken at least since dc7cdd0443ba18b13775fa84cd3391caa4d7af71 (Jul 2018). The fact that most of its formats rely on external programs makes it somewhat...
- scheduler: allow access to computer object - transport: fix typo - new direct "manual" scheduler"
fixes #3236 This PR allows specifying whether a code supports MPI.
The `QueryBuilder` currently has a conceptual problem, in that it essentially exposes the backend database to the user. A classic example of this is that, on the front end, we...
This is a draft PR for adding a validation schema for input to the `QueryBuilder`. Currently the schema is based on the output of `QueryBuilder.as_dict`, which is more restrictive than...
It is already possible to specify a class member function as a "calcfunction" and use it when not running via the daemon (and not with caching enabled): class MyWorkChain(WorkChain): @calcfunction...
This is a command that I found useful - perhaps it is good to commit it to the core. It can be useful for monitoring the calcjob while they are...
processes can be run, using the `Runner._run` function, in two distinct ways: 1. via the command-line, e.g. by `verdi run path/to/script.py` 2. within `verdi shell` (aka ipython) For (1), if...
This is a proof of concept for closing #4667, and feedback would be appreciated. Currently, when `verdi daemon start x` is run, this starts the circus daemon with settings to...
Partially addresses #4603 After completion of `aiida-sleep calc -n 1 -t 1 -p 500000 -o 500000 --submit` (on https://github.com/chrisjsewell/aiida-integration-tests): without: ``` CONTAINER ID NAME CPU % MEM USAGE / LIMIT...