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euphonic

Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

https://github.com/pace-neutrons/euphonic

Science Score: 54.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    7 of 12 committers (58.3%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (4.1%) to scientific vocabulary
Last synced: 10 months ago · JSON representation ·

Repository

Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

Basic Info
  • Host: GitHub
  • Owner: pace-neutrons
  • License: gpl-3.0
  • Language: Python
  • Default Branch: master
  • Homepage:
  • Size: 120 MB
Statistics
  • Stars: 37
  • Watchers: 2
  • Forks: 12
  • Open Issues: 51
  • Releases: 35
Created about 7 years ago · Last pushed 10 months ago
Metadata Files
Readme Changelog License Citation

README.rst 

========
Euphonic
========

Euphonic is a Python package that can efficiently calculate phonon
bandstructures, density of states and inelastic neutron scattering
intensities from force constants. The force constants can be read
from various sources, including CASTEP ``.castep_bin`` files, or Phonopy
``phonopy.yaml`` files. While Euphonic is primarily a library, multiple
command-line tools are also provided for convenient plotting of the above
quantities.

For more information, see the `docs `_.

Owner

  • Name: pace-neutrons
  • Login: pace-neutrons
  • Kind: organization

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you have used Euphonic in your research, please cite both the Euphonic software itself, and the article from preferred-citation"
abstract: "Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants"
authors:
  - family-names: "Fair"
    given-names: "Rebecca L."
    orcid: https://orcid.org/0000-0002-0926-2942
  - family-names: "Farmer"
    given-names: "Jessica L."
  - family-names: "Jackson"
    given-names: "Adam J."
    orcid: https://orcid.org/0000-0001-5272-6530
  - family-names: "King"
    given-names: "James C."
  - family-names: "Le"
    given-names: "Manh D."
    orcid: https://orcid.org/0000-0003-3012-6053
  - family-names: "Perring"
    given-names: "Toby G."
    orcid: https://orcid.org/0000-0001-5756-6433
  - family-names: "Pettitt"
    given-names: "Connor"
  - family-names: "Refson"
    given-names: "Keith"
    orcid: https://orcid.org/0000-0002-8715-5835
  - family-names: "Tucker"
    given-names: "Gregory S."
    orcid: https://orcid.org/0000-0002-2787-8054
  - family-names: "Voneshen"
    given-names: "David J."
    orcid: https://orcid.org/0000-0001-5716-7184
  - family-names: "Wilkins"
    given-names: "Jacob S."
    orcid: https://orcid.org/0009-0004-9147-3475
title: "Euphonic"
doi: 10.5286/SOFTWARE/EUPHONIC
version: 1.4.5
date-released: 2025-08-20
license: GPL-3.0-only
repository-code: https://github.com/pace-neutrons/Euphonic
url: https://euphonic.readthedocs.io
keywords:
  - "Python"
  - "physics"
  - "phonons"
  - "inelastic neutron scattering"
  - "CASTEP"
  - "Phonopy"
preferred-citation:
  authors:
    - family-names: "Fair"
      given-names: "Rebecca L."
      orcid: https://orcid.org/0000-0002-0926-2942
    - family-names: "Jackson"
      given-names: "Adam J."
      orcid: https://orcid.org/0000-0001-5272-6530
    - family-names: "Voneshen"
      given-names: "David J."
      orcid: https://orcid.org/0000-0001-5716-7184
    - family-names: "Jochym"
      given-names: "Dominik B."
      orcid: https://orcid.org/0000-0002-1413-4179
    - family-names: "Le"
      given-names: "Manh D."
      orcid: https://orcid.org/0000-0003-3012-6053
    - family-names: "Refson"
      given-names: "Keith"
      orcid: https://orcid.org/0000-0002-8715-5835
    - family-names: "Perring"
      given-names: "Toby G."
      orcid: https://orcid.org/0000-0001-5756-6433
  doi: 10.1107/S1600576722009256
  title: "Euphonic: inelastic neutron scattering simulations from force constants and visualization tools for phonon properties"
  type: article

GitHub Events

Total
  • Create event: 85
  • Release event: 10
  • Issues event: 52
  • Watch event: 7
  • Delete event: 84
  • Issue comment event: 289
  • Push event: 495
  • Pull request review comment event: 215
  • Pull request event: 109
  • Pull request review event: 213
  • Fork event: 1
Last Year
  • Create event: 85
  • Release event: 10
  • Issues event: 52
  • Watch event: 7
  • Delete event: 84
  • Issue comment event: 289
  • Push event: 495
  • Pull request review comment event: 215
  • Pull request event: 109
  • Pull request review event: 213
  • Fork event: 1

Committers

Last synced: about 3 years ago

All Time
  • Total Commits: 566
  • Total Committers: 12
  • Avg Commits per committer: 47.167
  • Development Distribution Score (DDS): 0.141
Past Year
  • Commits: 37
  • Committers: 3
  • Avg Commits per committer: 12.333
  • Development Distribution Score (DDS): 0.108
Top Committers
Name Email Commits
Rebecca Fair r****r@s****k 486
JamesKingWork 5****k@u****m 22
tvv28669 c****t@s****k 18
JamesKingWork j****g@s****k 14
Adam J. Jackson a****n@s****k 12
JamesKingWork J****k@n****k 5
Duc Le d****e@s****k 2
Greg Tucker g****r@s****k 2
Rebecca Fair 1****r@u****m 2
Adam J. Jackson a****n@p****g 1
jess-farmer 7****r@u****m 1
pace-builder 5****r@u****m 1
Committer Domains (Top 20 + Academic)
stfc.ac.uk: 6 physics.org: 1 ndlt1208.isis.cclrc.ac.uk: 1

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 101
  • Total pull requests: 146
  • Average time to close issues: 4 months
  • Average time to close pull requests: 21 days
  • Total issue authors: 10
  • Total pull request authors: 7
  • Average comments per issue: 1.07
  • Average comments per pull request: 4.22
  • Merged pull requests: 118
  • Bot issues: 0
  • Bot pull requests: 4
Past Year
  • Issues: 33
  • Pull requests: 58
  • Average time to close issues: 12 days
  • Average time to close pull requests: 9 days
  • Issue authors: 4
  • Pull request authors: 3
  • Average comments per issue: 0.45
  • Average comments per pull request: 3.67
  • Merged pull requests: 41
  • Bot issues: 0
  • Bot pull requests: 1
View more stats
Top Authors
Issue Authors
  • ajjackson (56)
  • rebeccafair (29)
  • mducle (6)
  • oerc0122 (3)
  • davidvoneshen (2)
  • mikibonacci (1)
  • krefson (1)
  • tyst3273 (1)
  • i-loa (1)
  • HoloHolo-phys (1)
Pull Request Authors
  • ajjackson (93)
  • rebeccafair (39)
  • oerc0122 (5)
  • dependabot[bot] (4)
  • mducle (3)
  • jess-farmer (1)
  • mstekiel (1)
Top Labels
Issue Labels
bug (11) nice to have (10) breaking (10) good first issue (6) enhancement (3) dependencies (1) wontfix (1) Epic (1)
Pull Request Labels
dependencies (6) bug (6) enhancement (6) run_ci (5) no_ci (2) nice to have (2) python (1) blocked (1)

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 2,305 last-month
  • Total dependent packages: 1
    (may contain duplicates)
  • Total dependent repositories: 5
    (may contain duplicates)
  • Total versions: 44
  • Total maintainers: 3
pypi.org: euphonic

Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)

  • Versions: 35
  • Dependent Packages: 1
  • Dependent Repositories: 5
  • Downloads: 2,305 Last month
Rankings
Dependent packages count: 4.8%
Dependent repos count: 6.6%
Downloads: 8.1%
Average: 8.7%
Forks count: 11.4%
Stargazers count: 12.5%
Maintainers (3)
ajjackson rebeccafair dbjochym
Last synced: 10 months ago
conda-forge.org: euphonic
  • Versions: 9
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Dependent repos count: 34.0%
Average: 44.0%
Forks count: 44.7%
Stargazers count: 46.3%
Dependent packages count: 51.2%
Last synced: 10 months ago

Dependencies

pyproject.toml pypi
  • numpy >=1.24.0
  • packaging *
  • pint >=0.22
  • scipy >=1.10
  • seekpath >=1.1.0
  • spglib >=1.9.4
  • threadpoolctl >=3.0.0
  • toolz >=0.12.1