Sebastiaan Huber

Magnetism is specified through the `parameters` input node of for example a `PwCalculation`. For example: ``` parameters = { 'SYSTEM': { 'npsin': 2, 'starting_magnetization': { 'Fe': 2.0 } } }...

There are a few things I think we should keep in mind. The `StructureData` class is intended and designed to store the information necessary to fully define a solid state...

> or should we introduce a plugin for this data class As I explained in my previous post, I am not sure this should become a data plugin. Since the...

If you mean by "linking an ExtraStructureData" to actually have that be a separate `Data` node and linked that to the `StructureData`, then that is currently not possible since links...

Is there a particular environment in which this should be tested? Is it already clear whether a virtual machine will be used or an environment on AWS, or AiiDAlab?

> In view of improving interoperability between ASE and AiiDA going forward, I would personally highly welcome if the information that can be stored in an [ASE `Atom`](https://wiki.fysik.dtu.dk/ase/ase/atom.html#ase.Atom) could be...

Just a small point of nuance: the change is backwards compatible, but the old entry points are deprecated and will no longer work after some time

Note that during the discussion of the changes in the entry point names, another point came to discussion. For a long time, we have been recommending new users to use...

Thanks @unkcpz could you please provide a bit more information? With what inputs did you run, what was the actual error in the stdout of the calculation?

> but it seems I can't just override the `output_parameters` output with the `self.out()` method. @sphuber is there a clean way of doing this? ~~Don't understand what you mean here....