Koopmans

Latest version: v1.0.0

Safety actively analyzes 688619 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 3 of 3

0.3

This version of the code now includes the python-based workflows of [python_KI](https://github.com/elinscott/python_KI).

From this point onwards updates to the python workflow will be made directly to this repository. [python_KI](https://github.com/elinscott/python_KI) will not be maintained and will exist for legacy purposes only.

0.2

This was the version of the code used for the calculations in Riccardo's paper. It contains:

- `cp_koopmans`: the Koopmans CP code
- `qe_koopmans`: a fork to the official Quantum Espresso GitLab repository (v6.7) containing the modifications to `pw2wannier90` and the `KC_WANN` implementation
- `unfold_and_interpolate`: the old version of the unfolding Python code. At this stage this was already implemented within `python_KI` and the version present was not used anymore.

The calculations present in the paper were made using the version [4425d4c](https://github.com/elinscott/python_KI/commit/4425d4c22eeed036d427c7c99aeeb351ed217d62) of the [python_KI](https://github.com/elinscott/python_KI) repository.

0.1

Old version of the code before forking the official `QE` repository and cleaning the local copy of the `CP4.1` code.

Page 3 of 3

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.