Science Score: 49.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 2 DOI reference(s) in README -
○Academic publication links
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✓Committers with academic emails
2 of 3 committers (66.7%) from academic institutions -
○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (14.9%) to scientific vocabulary
Keywords
Repository
Python modules for electron–phonon models
Basic Info
- Host: GitHub
- Owner: janberges
- License: gpl-3.0
- Language: Python
- Default Branch: master
- Homepage: https://io.janberges.de/elphmod
- Size: 1.75 MB
Statistics
- Stars: 33
- Watchers: 2
- Forks: 8
- Open Issues: 0
- Releases: 13
Topics
Metadata Files
README.md
Python modules for electron-phonon models
elphmod is a collection of Python modules to handle coupled tight-binding and mass-spring models derived from first principles. It provides interfaces with popular simulation software such as Quantum ESPRESSO, Wannier90, EPW, RESPACK, and i-PI. It helps calculate dispersions, spectra, and response functions and can be used to build and study distorted structures on supercells.
el- tight-binding models from Wannier90ph- mass-spring models from Quantum ESPRESSOelph- electron-phonon coupling from EPWelel- Coulomb interaction from RESPACKMPI- work distribution and shared memorybravais- lattices, symmetries, and interpolationdispersion- diagonalization on paths and meshesdos- 2D tetrahedron methodsdiagrams- susceptibilities, self-energies, etc.occupations- step and delta smearing functionsmd- charge-density-wave dynamics using i-PIeliashberg- parameters for McMillan's formulaplot- BZ plots, fatbands, etc.misc- constants, status bars, parsing, etc.models- nearest-neighbor models for testing
Installation
You can install the latest version of elphmod from PyPI:
python3 -m pip install elphmod
Or from the conda-forge channel on Anaconda Cloud:
conda install conda-forge::elphmod
elphmod can optionally be run in parallel via MPI (with shared-memory support). Using APT and pip, you can install the corresponding dependencies as follows:
sudo apt install libopenmpi-dev
python3 -m pip install mpi4py --no-binary=mpi4py
You can also download the complete repository, perform an editable installation, and install the requirements of examples and documentation:
git clone https://github.com/janberges/elphmod
python3 -m pip install -e elphmod
python3 -m pip install -r elphmod/examples/requirements.txt
python3 -m pip install -r elphmod/doc/requirements.txt
Documentation
The documentation can be found at https://io.janberges.de/elphmod.
Please also have a look at the examples directory.
Reference
elphmod is stored on Zenodo: https://doi.org/10.5281/zenodo.5919991.
Licence
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.
Copyright (C) 2017-2025 elphmod Developers
Owner
- Name: Jan Berges
- Login: janberges
- Kind: user
- Location: Bremen
- Company: Universität Bremen
- Website: https://janber.de
- Repositories: 6
- Profile: https://github.com/janberges
GitHub Events
Total
- Release event: 1
- Watch event: 5
- Push event: 32
- Create event: 2
Last Year
- Release event: 1
- Watch event: 5
- Push event: 32
- Create event: 2
Committers
Last synced: about 2 years ago
Top Committers
| Name | Commits | |
|---|---|---|
| Jan Berges | j****s@u****e | 1,377 |
| Arne | a****t@g****e | 46 |
| Erik van Loon (Uni Bremen -- Desktop) | e****n@i****e | 2 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 9 months ago
All Time
- Total issues: 2
- Total pull requests: 1
- Average time to close issues: about 16 hours
- Average time to close pull requests: about 8 hours
- Total issue authors: 2
- Total pull request authors: 1
- Average comments per issue: 5.0
- Average comments per pull request: 0.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 0
- Average time to close issues: N/A
- Average time to close pull requests: N/A
- Issue authors: 0
- Pull request authors: 0
- Average comments per issue: 0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- mahelz (1)
- Vandemoo (1)
Pull Request Authors
- lklebl (2)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 1
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Total downloads:
- pypi 87 last-month
- Total dependent packages: 0
- Total dependent repositories: 1
- Total versions: 30
- Total maintainers: 1
pypi.org: elphmod
Python modules for electron-phonon models
- Homepage: https://github.com/janberges/elphmod
- Documentation: https://elphmod.readthedocs.io/
- License: GNU General Public License v3 or later (GPLv3+)
-
Latest release: 0.30
published 11 months ago
Rankings
Maintainers (1)
Dependencies
- m2r2 *
- matplotlib *
- mpi4py--no-binary =mpi4py
- numpy *
- numpydoc *
- m2r2 *
- numpydoc *
- sphinx-rtd-theme *
- ipi *
- matplotlib *