Koopmans

This is release v1.0.0-beta.2 of koopmans.

Changes include

- `ASE` is no longer a submodule but instead is installed via `pip`
- bugfix to centers and spreads in `kcp.x` with gfortran
- minor tweaks to the documentation

For a full changelog, see [`v1.0.0-beta.1...v1.0.0-beta.2`](https://github.com/epfl-theos/koopmans/compare/v1.0.0-beta.1...v1.0.0-beta.2)

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

Asides from some housekeeping, the only subtantial change relative to `v0.7` is the automatic generation of the `nr?b` keywords for `kcp.x` (See 151)

For a full changelog, see [`v0.7...v1.0.0-beta.1`](https://github.com/epfl-theos/koopmans/compare/v0.7...v1.0.0-beta.1)

This is release v0.7.0 of koopmans.

This is a minor release that adds several new functionalities to the code, including

- a new input file format that is more consistent with the way we instantiate `Workflow` objects within python. (Note that we do not have backwards compatibility with the old input fle format.)
- workflows and calculators for calculating the dielectric tensor
- `ibrav` autodetection
- increased test coverage

For a full changelog, see [`v0.6...v0.7`](https://github.com/epfl-theos/koopmans/compare/v0.6...v0.7)

This is release v0.6.0 of koopmans.

This is a minor release that adds several new functionalities to the code, including
- the ability to calculate projected densities of states
- an overhauled test suite that is more modular and robust
- more user-friendly instantiation of `Workflow` objects

in addition to several minor bugfixes.

For a full changelog, see https://github.com/epfl-theos/koopmans/compare/v0.5...v0.6

This is release v0.5.0 of koopmans.

This is a minor release that adds several new functionalities to the workflows, including
- pseudopotential libraries
- block wannierisation
- an optimised UI calculator that is now a lot faster
- simplified DSCF workflow using more information from the trial Koopmans calculations
- unfolding and interpolation for the DFPT workflow

Also, the underlying Quantum ESPRESSO code has been modified:
- now upgraded to QE v7.0
- empty_states_nbnd has been replaced with nbnd for the kcp.x code
- code that will not be merged with the official QE has been moved into a utilities folder

This is release v0.4.0 of `koopmans`.

This is a minor release that makes several substantial changes to the workflow code base with very few consequences for the user.

Most notably for the user...
- `koopmans` now requires python v3.7 and above
- there are a few fields in the input file that have changed format (the kpoints and the wannier90 projectors)

Other changes include...
- The `Calculator` classes are now child classes of the corresponding ASE calculators rather than having an `_ase_calc` attribute
- The `Workflow` class has been reorganised
- settings are now managed using the `SettingsDict` class, a smart class that behaves like a dictionary but with extra checks and balances
- more extensive use of typechecking and `pathlib`