Espen
Espen
This issue handles the discussions and decisions that are taken in order to offer the functionality to recover from critical errors, adjust a workchain course based on less severe warnings...
Right now we only accept a `restart_folder` which should contain the `CHGCAR` etc. This is in general good practice (do not have to copy large files around while keeping provenance)....
Right now we have a parser for the Wannier90 input file in this plugin. This should be moved to the `aiida-wannier90` plugin. There is an issue for this here: https://github.com/aiidateam/aiida-wannier90/issues/99
We need to add tests to check at least a minimal set of exit codes that should be triggered when running processes.
In AiiDA 1.2 group sub classing was introduced, along with other improvements. We should consider if we want to make a new `PotcarFamily` group sub classed from this and restructure...
The relaxation workchain should master all aspects of the convergence, meaning we should lift the much used `EDIFF(G)` functionallity of VASP into the relaxation workchain. Doing this would enable us...
We need to perform at the very least some kind of auto parallelization. However, in order to do this we need to know how much memory a VASP job would...
We now utilize `retrieve_temporary_list`, but do not check that it actually works. Upon the introduction of object storage there is no point making a test that checks the content of...
Currently we utilize a mock executable. That is fine and works quite okey. However, we need a better way to eject messages if something in the test fails. Specifically a...
Right now the `POTCAR` is processed before running a checksum. This makes it difficult for the user to compare to checksum in the terminal. Consider if we should support this....