For performing Koopmans spectral functional calculations with Quantum ESPRESSO.
Installation
This python package koopmans only contains a subset of the code that you will require to run Koopmans functional calculations. To install everything, download the full source code from github <https://github.com/epfl-theos/koopmans> and follow the installation instructions.
Running
Calculations are run with the command
koopmans <seed>.jsonwhere <seed>.json is the koopmans input file. For more details, refer to the online documentation.
Contact
Written and maintained by Edward Linscott, Riccardo De Gennaro, and Nicola Colonna (2020-)
For help and feedback email edward.linscott@gmail.com
Release files for koopmans 1.2.0
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| koopmans-1.2.0.tar.gz | 75.3 MB | With provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| koopmans-1.2.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 151.0 MB
Release files / koopmans-1.2.0.tar.gz
| Download URL | koopmans-1.2.0.tar.gz |
|---|---|
| Size | 75.3 MB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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Transparency logRelease files / koopmans-1.2.0-py3-none-any.whl
| Download URL | koopmans-1.2.0-py3-none-any.whl |
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| Size | 75.7 MB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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| Uploaded via |
twine/6.1.0 CPython/3.13.12
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