edrixs
An open source toolkit for simulating RIXS spectra based on ED
Science Score: 77.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
✓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
Links to: arxiv.org -
✓Committers with academic emails
4 of 12 committers (33.3%) from academic institutions -
○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (10.8%) to scientific vocabulary
Last synced: 6 months ago
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Repository
An open source toolkit for simulating RIXS spectra based on ED
Basic Info
- Host: GitHub
- Owner: EDRIXS
- License: gpl-3.0
- Language: Python
- Default Branch: master
- Homepage: https://edrixs.github.io/edrixs
- Size: 13.1 MB
Statistics
- Stars: 35
- Watchers: 11
- Forks: 20
- Open Issues: 23
- Releases: 5
Created about 7 years ago
· Last pushed 7 months ago
Metadata Files
Readme
Contributing
License
Citation
Authors
README.rst
===============================
edrixs
===============================
.. image:: https://img.shields.io/pypi/v/edrixs.svg
:target: https://pypi.python.org/pypi/edrixs
.. image:: https://mybinder.org/badge_logo.svg
:target: https://mybinder.org/v2/gh/NSLS-II/edrixs.git/master?urlpath=lab
EDRIXS is an open source toolkit for simulating XAS and RIXS spectra based on exact diagonalization of model Hamiltonians.
It was started as part of `COMSCOPE project `_ to try the code.
Features
--------
* ED solver
* XAS spectra
* RIXS spectra
How to cite
-----------
If you are using the EDRIXS code to do some studies and would like to publish your great works, it would be really appreciated if you can cite the following paper:
``EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering, Y.L. Wang, G. Fabbris, M.P.M. Dean and G. Kotliar``, `Computer Physics Communications,243, 151 (2019) `_, `arXiv:1812.05735
Owner
- Name: EDRIXS
- Login: EDRIXS
- Kind: organization
- Repositories: 1
- Profile: https://github.com/EDRIXS
Citation (CITATION.cff)
cff-version: 1.2.0
message: If you use edrixs in your research, please cite it as below.
title: An open source toolkit for simulating RIXS spectra based on ED
version: 0.0.6
date-released: 2020-07-09
url: "https://github.com/NSLS-II/edrixs"
preferred-citation:
type: article
authors:
- family-names: "Wang"
given-names: "Y.L."
- family-names: "Fabbris"
given-names: "G."
- family-names: "Dean"
given-names: "M.P.M."
- family-names: "Kotliar"
given-names: "G."
doi: "10.1016/j.cpc.2019.04.018"
journal: "Computer Physics Communications"
month: 9
start: 151 # First page number
end: 165 # Last page number
title: "EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering"
volume: 243
year: 2019
GitHub Events
Total
- Issues event: 5
- Delete event: 2
- Member event: 2
- Issue comment event: 12
- Push event: 28
- Pull request review event: 13
- Pull request review comment event: 5
- Pull request event: 26
- Create event: 3
Last Year
- Issues event: 5
- Delete event: 2
- Member event: 2
- Issue comment event: 12
- Push event: 28
- Pull request review event: 13
- Pull request review comment event: 5
- Pull request event: 26
- Create event: 3
Committers
Last synced: 9 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Yilin Wang | w****5@g****m | 202 |
| Mark Dean | m****n@g****m | 193 |
| Maksim Rakitin | m****n@b****v | 60 |
| Joseph Kleinhenz | k****h@g****m | 19 |
| Anselm Hahn | A****n@g****m | 11 |
| lajerm | 4****m | 2 |
| Mark Dean | m****2@g****m | 2 |
| thomas-jinu | 9****u | 1 |
| swedge | s****e@g****m | 1 |
| Thomas A Caswell | t****l@b****v | 1 |
| Stuart Campbell | s****l@b****v | 1 |
| Dan Allan | d****n@b****v | 1 |
Committer Domains (Top 20 + Academic)
bnl.gov: 4
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 4
- Total pull requests: 16
- Average time to close issues: 7 months
- Average time to close pull requests: about 2 months
- Total issue authors: 2
- Total pull request authors: 2
- Average comments per issue: 0.75
- Average comments per pull request: 0.38
- Merged pull requests: 8
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 3
- Pull requests: 15
- Average time to close issues: 19 days
- Average time to close pull requests: 12 days
- Issue authors: 1
- Pull request authors: 2
- Average comments per issue: 0.33
- Average comments per pull request: 0.4
- Merged pull requests: 8
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- mpmdean (3)
- Anselmoo (1)
Pull Request Authors
- mpmdean (15)
- mrakitin (1)
Top Labels
Issue Labels
Pull Request Labels
No not merge! (1)
Dependencies
pyproject.toml
pypi
setup.py
pypi
requirements-dev.txt
pypi
- Pillow * development
- codecov * development
- coverage * development
- flake8 * development
- ipython * development
- matplotlib * development
- numpydoc * development
- pre-commit * development
- pytest * development
- sphinx * development
- sphinx-copybutton * development
- sphinx-gallery * development
- sphinx_rtd_theme * development
requirements.txt
pypi
- matplotlib *
- mpi4py *
- numpy *
- scipy *
- sphinx *
- sympy *
.github/workflows/ci-test.yml
actions
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- actions/setup-python v2 composite
- pre-commit/action v2.0.3 composite
.github/workflows/docs-publish.yml
actions
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- actions/setup-python v2 composite
- peaceiris/actions-gh-pages bbdfb200618d235585ad98e965f4aafc39b4c501 composite
docker/Dockerfile
docker
- edrixs/edrixs_base latest build
.github/workflows/docker-image-publish.yml
actions
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binder/environment.yml
pypi