Jonas Lundholm Bertelsen

Saving hamiltonian/geometry into an nc-file doesn't save orbital information

4

**Describe the bug** I usually save hamiltonians in the netcdf format using sisl. When i load them, I cannot get any information on the orbitals other than the number of...

High-level writing and parsing fdf configs for siesta/ts/tbtrans

2

I think it would be nice, if it was possible, to for example say `fdf.electrodes["Left"].atoms` or `fdf.electrodes["Left"].chem_pot.contour` to obtain the atom indices of the electrode and its chemical potential's associated...

Optimizations - fewer matrix multiplications, einsum, and optional noise

1

This PR reduces the number of matrix multiplications quite significantly. It also introduces use of `np.einsum` instead of the custom function (it's still custom, but it uses einsum). Noise calculation...

Simplify M loading and support loading a smaller eph region than device

2

This is a minor simplification - reading the coupling `M` was done in two places and I moved it to a single method instead. Simultaneously I had a Phonon.nc file...

Currently it seems not allowed to make comments between hash entries, this is a feature request to allow it. That means the following is valid: ``` mutate { rename =>...

Add pipeline id and plugin id to logs

1

When tracking down errors like: ``` [2023-11-08T14:10:18,726][ERROR][logstash.filters.ruby ] Ruby exception occurred: undefined method `[]' for nil:NilClass {:class=>"NoMethodError", :backtrace=>["(ruby filter code):10:in `block in filter_method'", [...] ``` It can be hard to...

🐛 Fix support for UnionType with Python 3.11

10

Fixes #533, which already had good details and a proposal for a solution, based on using `get_args` and `get_origin` from the `typing` module instead of the `__args__` and `__origin__` attributes....

### Description Long logs get split into 16 kiB segments by the log driver (at least the json lines one). When requesting `--timestamps`, we would expect to see a timestamp...

feat(syntax): allow comments in hashes and before EOF

6

## Release notes Fixed the syntax rules to allow comments between hash entries and immediately before the end of a file. Comments in these places would previously give syntax errors....

Docker's [`VolumeCreate` API](https://docs.docker.com/engine/api/v1.45/#tag/Volume/operation/VolumeCreate) takes a `ClusterVolumeSpec` parameter that it'd be nice to be able to use. Most commonly, `ClusterVolumeSpec.AccessMode.{Scope,Sharing}` will need to be set and the Docker CLI also has...