-
run.py a nice, but naive try to implement a one command run the same with different codes. But you fix/assume a workflow interface (first of what inputs are required, second what their name/label is).…
-
Hi,
I'm using the ase plugin for ase-espresso (https://github.com/lmmentel/ase-espresso), and I want to set the argument "txt" as follows
```python
'txt': os.environ['PWD'] + '/aiida.out'
```
…
-
I think the error message should be the opposite: No valid parser found for the plugin.
I got this message when the job was OK and the parser was not found.
https://github.com/aiidateam/aiida_co…
-
Usually, to set up a code non-interactively (a common task), I do something like the following:
```
$ cat fleur.code
fleur-0.27-inpgen
fleur v0.27 MaXR2
False
fleur.inpgen
localhost
/home/va…
-
@giovannipizzi: this is what it looks like for now (quite minimal): https://aiidateam.github.io/aiida-registry/
DropD updated
7 years ago
-
There seems to be a bug sometimes in creating fleurinp data sometimes. Through it might or might not have todo with the small changes of me in aiida_core, escape_for_bash and so on. Investigate.
-
Could be taken from the aiida-vasp plugin.
-
I submit a vc-relax calculation, it runs correctly, but among the output dict I cannot not find a StructureData connected to the calculation via an `output_structure` link. Ex, in `verdi shell`:
In…
-
I submit a `bands` calculation calculation, it runs correctly, but among the output dict I cannot not find a BandsData connected to the calculation via an output_structure link. I made sure I had `als…
-
Hi,
To clarify how to use this plugin, would it be possible for you to upload a simple aiida input example?