Data

Tools

Indexes

Applications

Experiments

Open Source Science

muspinsim

Full quantum simulation of muon experiments

https://github.com/muon-spectroscopy-computational-project/muspinsim

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
    4 of 12 committers (33.3%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (12.4%) to scientific vocabulary
Last synced: 7 months ago · JSON representation ·

Repository

Full quantum simulation of muon experiments

Basic Info
Statistics
  • Stars: 1
  • Watchers: 2
  • Forks: 0
  • Open Issues: 11
  • Releases: 10
Created about 5 years ago · Last pushed about 1 year ago
Metadata Files
Readme License Citation

README.md

Build Status Codecov

muspinsim

MuSpinSim is a Python software meant to simulate muon spectroscopy experiments. In particular, it simulates the spin dynamics of a system of a muon plus other spins, namely electrons and atomic nuclei. It can simulate various common experimental setups and account for hyperfine, dipolar and quadrupolar couplings. It is also able to fit its simulations to experimental data, to find the optimal parameters that describe it.

Theory

The way MuSpinSim operates is quite simple, and based on the principles of similar software for NMR, in particular Simpson. A Hamiltonian of the system is built by combining the various terms specified in the input file; hyperfine, dipolar and quadrupolar terms are tied to the orientation of the 'crystallite' of the system we're observing, whereas muon polarization and applied external field are in an absolute reference frame (the one of the laboratory). The density matrix of the system is then made to evolve in time under this Hamiltonian, and the muon polarization is observed by standard quantum mechanical methods to compute expectation values. A slightly different approach is used when saving the integral of the expectation value, as in that case the integration is performed analytically to compute an "integral operator" whose expectation value is then computed.

Installation and Usage

For more in-depth information about how to install and use MuSpinSim as well as about how the theory behind it works, please check the official documentation.

Owner

  • Name: The Muon Spectroscopy Computational Project
  • Login: muon-spectroscopy-computational-project
  • Kind: organization

A collaboration project between the UKRI Scientific Computation Department and the ISIS Muon Group to develop tools for muon spectroscopy.

Citation (CITATION.cff) 

# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: muspinsim
message: >-
  If you use this software, please cite it using the
  metadata from this file.
type: software
authors:
  - given-names: Simone
    family-names: Sturniolo
    affiliation: >-
      Science and Technology Facilities Council,
      CoMind
    orcid: 'https://orcid.org/0000-0003-4851-1144'
  - given-names: Leandro
    family-names: Liborio
    affiliation: Science and Technology Facilities Council
    orcid: 'https://orcid.org/0000-0003-2777-5167'
  - given-names: Josh
    family-names: Owen
    affiliation: Science and Technology Facilities Council
    orcid: 'https://orcid.org/0000-0003-1971-521X'
  - given-names: Anish
    family-names: Mudaraddi
    affiliation: Science and Technology Facilities Council
    orcid: 'https://orcid.org/0000-0002-2135-2705'
  - given-names: Joel
    family-names: Davies
    affiliation: Science and Technology Facilities Council
    orcid: 'https://orcid.org/0000-0002-4153-6819'
  - given-names: John
    family-names: Wilkinson
    affiliation: Science and Technology Facilities Council
    orcid: 'https://orcid.org/0000-0001-6879-7181'
  - name: "Muon Spectroscopy Computational Project"
repository-code: >-
  https://github.com/muon-spectroscopy-computational-project/muspinsim
url: >-
  https://muon-spectroscopy-computational-project.github.io/muspinsim/
abstract: >-
  MuSpinSim is a Python software meant to simulate
  muon spectroscopy experiments. In particular, it
  simulates the spin dynamics of a system of a muon
  plus other spins, namely electrons and atomic
  nuclei. It can simulate various common experimental
  setups and account for hyperfine, dipolar and
  quadrupolar couplings. It is also able to fit its
  simulations to experimental data, to find the
  optimal parameters that describe it.
keywords:
  - "muon spectroscopy"
  - "muon experiments"
  - "muon experiments: avoided level crossing"
  - "muon experiments: transverse field"
  - "muon experiments: longitudinal field"
  - "muon experiments: zero field"
license: MIT
# version data
version: v2.3.0
date-released: '2023-04-04'
doi: 10.5281/zenodo.7798889
identifiers:
  - type: doi
    value: 10.5281/zenodo.6517626
    description: The concept DOI for the collection containing all versions of muspinsim.
  - type: doi
    value: 10.5281/zenodo.7798889
    description: The versioned DOI for the version 2.3.0 of muspinsim.
# references - to come!
# references:

GitHub Events

Total
  • Push event: 7
  • Pull request event: 1
  • Create event: 1
Last Year
  • Push event: 7
  • Pull request event: 1
  • Create event: 1

Committers

Last synced: almost 3 years ago

All Time
  • Total Commits: 503
  • Total Committers: 12
  • Avg Commits per committer: 41.917
  • Development Distribution Score (DDS): 0.539
Past Year
  • Commits: 347
  • Committers: 7
  • Avg Commits per committer: 49.571
  • Development Distribution Score (DDS): 0.331
Top Committers
Name Email Commits
Joel Davies j****s@s****k 232
stur86 s****o@g****m 149
Anish Mudaraddi a****i@s****k 74
Eli Chadwick e****k@s****k 25
Joel Davies 9****s@u****m 8
patrick-austin 6****n@u****m 4
stur86 s****o@s****k 3
Anish Mudaraddi 8****i@u****m 2
Josh-work j****1@g****m 2
dependabot[bot] 4****]@u****m 2
Josh 4****n@u****m 1
Leandro Liborio 1****o@u****m 1
Committer Domains (Top 20 + Academic)
stfc.ac.uk: 4

Issues and Pull Requests

Last synced: 7 months ago

All Time
  • Total issues: 35
  • Total pull requests: 59
  • Average time to close issues: about 1 month
  • Average time to close pull requests: 20 days
  • Total issue authors: 7
  • Total pull request authors: 7
  • Average comments per issue: 0.91
  • Average comments per pull request: 0.53
  • Merged pull requests: 55
  • Bot issues: 0
  • Bot pull requests: 3
Past Year
  • Issues: 0
  • Pull requests: 2
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • joelvdavies (24)
  • elichad (3)
  • anish-mudaraddi (3)
  • wilkojohnny (2)
  • francis-pratt (1)
  • stur86 (1)
  • patrick-austin (1)
Pull Request Authors
  • joelvdavies (39)
  • patrick-austin (7)
  • anish-mudaraddi (5)
  • dependabot[bot] (3)
  • AJO-Python (2)
  • elichad (1)
  • leandro-liborio (1)
Top Labels
Issue Labels
enhancement (15) bug (9) documentation (4) dependencies (2) good first issue (2) invalid (1)
Pull Request Labels
documentation (10) enhancement (9) dependencies (6) bug (4)

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 176 last-month
  • Total dependent packages: 0
    (may contain duplicates)
  • Total dependent repositories: 1
    (may contain duplicates)
  • Total versions: 14
  • Total maintainers: 4
pypi.org: muspinsim

Full quantum simulation of muon experiments

  • Versions: 11
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 176 Last month
Rankings
Dependent packages count: 10.0%
Downloads: 11.1%
Average: 20.9%
Dependent repos count: 21.8%
Forks count: 29.8%
Stargazers count: 31.9%
Maintainers (4)
elichad leandro-liborio patrick-austin joelvdavies
Last synced: 8 months ago
conda-forge.org: muspinsim
  • Versions: 3
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Dependent repos count: 34.0%
Dependent packages count: 51.2%
Average: 52.2%
Forks count: 61.1%
Stargazers count: 62.4%
Last synced: 8 months ago

Dependencies

requirements-dev.txt pypi
  • Pillow ==9.1.1 development
  • PyYAML ==6.0 development
  • Soprano ==0.8.13 development
  • ase ==3.22.1 development
  • attrs ==21.4.0 development
  • black ==22.3.0 development
  • cfgv ==3.3.1 development
  • click ==8.1.3 development
  • cycler ==0.11.0 development
  • distlib ==0.3.4 development
  • filelock ==3.6.0 development
  • flake8 ==4.0.1 development
  • fonttools ==4.33.3 development
  • identify ==2.5.0 development
  • iniconfig ==1.1.1 development
  • kiwisolver ==1.4.2 development
  • lark ==1.1.2 development
  • matplotlib ==3.5.1 development
  • mccabe ==0.6.1 development
  • mypy-extensions ==0.4.3 development
  • nodeenv ==1.6.0 development
  • numpy ==1.21.6 development
  • numpy ==1.22.0 development
  • packaging ==21.3 development
  • pathspec ==0.9.0 development
  • platformdirs ==2.5.2 development
  • pluggy ==1.0.0 development
  • pre-commit ==2.18.1 development
  • py ==1.11.0 development
  • pycodestyle ==2.8.0 development
  • pyflakes ==2.4.0 development
  • pyparsing ==3.0.8 development
  • pytest ==7.1.2 development
  • python-dateutil ==2.8.2 development
  • scipy ==1.7.3 development
  • six ==1.16.0 development
  • toml ==0.10.2 development
  • tomli ==2.0.1 development
  • typing-extensions ==4.2.0 development
  • virtualenv ==20.14.1 development
requirements-docs.txt pypi
  • Jinja2 ==3.1.2
  • Markdown ==3.3.6
  • MarkupSafe ==2.1.1
  • PyYAML ==6.0
  • click ==8.1.3
  • ghp-import ==2.0.2
  • importlib-metadata ==4.11.3
  • mergedeep ==1.3.4
  • mkdocs ==1.3.0
  • packaging ==21.3
  • pymdown-extensions ==9.4
  • pyparsing ==3.0.8
  • python-dateutil ==2.8.2
  • pyyaml-env-tag ==0.1
  • six ==1.16.0
  • watchdog ==2.1.7
  • zipp ==3.8.0
requirements-lint.txt pypi
  • black ==22.3.0
  • flake8 ==4.0.1
requirements.txt pypi
  • Pillow ==9.1.1
  • Soprano ==0.8.13
  • ase ==3.22.1
  • cycler ==0.11.0
  • fonttools ==4.33.3
  • kiwisolver ==1.4.2
  • lark ==1.1.2
  • matplotlib ==3.5.1
  • numpy ==1.21.6
  • numpy ==1.22.0
  • packaging ==21.3
  • pyparsing ==3.0.8
  • python-dateutil ==2.8.2
  • scipy ==1.7.3
  • six ==1.16.0
setup.py pypi
  • numpy *
.github/workflows/build.yml actions
  • actions/checkout v3 composite
  • actions/upload-artifact v3 composite
  • docker/setup-qemu-action v2 composite
  • pypa/cibuildwheel v2.11.4 composite
.github/workflows/citation-cff.yml actions
  • actions/checkout v2 composite
  • actions/upload-artifact v2 composite
  • dieghernan/cff-validator main composite
.github/workflows/docs.yml actions
  • actions/checkout v2 composite
.github/workflows/test.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
pyproject.toml pypi