Koopmans

This is release v1.0.0 of `koopmans`.

This latest version of the code uses Quantum ESPRESSO v7.2 (206), has a corrected license (208), updated references (203), an improved DFT bands workflow (201) and an easy way to cite the code (197).

For a full changelog, see [v1.0.0-rc.1...v1.0.0](https://github.com/epfl-theos/koopmans/compare/v1.0.0-rc.1...v1.0.0)

This is release v1.0.0-rc.1 of koopmans.

This updated version of the code changes adds the ability to perform DFPT calculations on a coarse grid (194) and adds support for a mixing parameter for alpha when calculating the screening parameters self-consistently (195), and removed the non-robust algebraic parsing of the input files (187).

For a full changelog, see [v1.0.0-beta.6...v1.0.0-rc.1](https://github.com/epfl-theos/koopmans/compare/v1.0.0-beta.6...v1.0.0-rc.1)

This is release v1.0.0-beta.6 of koopmans.

This updated version of the code changes the syntax used for the wannier90 input block. It also has a reorganised test suite using pytest local plugins (rather than the previous ad-hoc solution)

For a full changelog, see [v1.0.0-beta.5...v1.0.0-beta.6](https://github.com/epfl-theos/koopmans/compare/v1.0.0-beta.5...v1.0.0-beta.6)

This is release v1.0.0-beta.5 of koopmans.

This updated version of the code can now predict screening parameters using machine learning. This functionality should be treated as experimental for the time being.

For a full changelog, see [`v1.0.0-beta.4...v1.0.0-beta.5`](https://github.com/epfl-theos/koopmans/compare/v1.0.0-beta.4...v1.0.0-beta.5)

This is release v1.0.0-beta.4 of koopmans.

Changes include
- `koopmans-kcp` submodule updated to `v0.1.2` (most notably this new version includes fixes to `Inf`/`NaN`s that arise when compiling with modern gfortran with optimization)
- `ase-koopmans` requirement updated to `v0.1.1`
- corrections to the package metadata

For a full changelog, see [`v1.0.0-beta.3...v1.0.0-beta.4`](https://github.com/epfl-theos/koopmans/compare/v1.0.0-beta.3...v1.0.0-beta.4)

This is release v1.0.0-beta.3 of koopmans.

Changes include
- all fortran code has been split off to separate repositories and are instead included as submodules
- the python code has been tweaked for publication on PyPI (this and all subsequent releases will be available on PyPI)
- changes to the `tmpdir` behaviour
- tweaks to the documentation

For a full changelog, see [`v1.0.0-beta.2...v1.0.0-beta.3`](https://github.com/epfl-theos/koopmans/compare/v1.0.0-beta.2...v1.0.0-beta.3)