Science Score: 67.0%
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✓codemeta.json file
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✓DOI references
Found 2 DOI reference(s) in README -
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1 of 3 committers (33.3%) from academic institutions -
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○Scientific vocabulary similarity
Low similarity (12.7%) to scientific vocabulary
Repository
Tools for crystallographic symmetry analysis
Basic Info
Statistics
- Stars: 61
- Watchers: 2
- Forks: 8
- Open Issues: 15
- Releases: 59
Metadata Files
README.md
Crystalline.jl
Tools for crystalline symmetry analysis implemented in the Julia language.
This package provides access to the symmetry operations of crystalline point groups, space groups, Wyckoff positions, their irreducible representations and band representations, as well as tools for their associated manipulation.
Installation
The package can be installed via Julia's package manager:
julia
julia> using Pkg; Pkg.add("Crystalline")
julia> using Crystalline
Functionality
Crystalline.jl provides several functionalities for line groups, plane groups, and space groups, as well as crystallographic point groups.
Example use includes: ```julia
construct a 3D SymOperation from its triplet form
julia> S"x,-y,-z" 2₁₀₀ ─────────────────────────── (x,-y,-z) ┌ 1 0 0 ╷ 0 ┐ │ 0 -1 0 ┆ 0 │ └ 0 0 -1 ╵ 0 ┘
load the SymOperations of the 3D space group ⋕16 in a conventional setting
julia> sg = spacegroup(16, Val(3)) SpaceGroup{3} ⋕16 (P222) with 4 operations: 1 2₀₀₁ 2₀₁₀ 2₁₀₀
load a dictionary of small irreps and their little groups for space group ⋕16,
indexed by their k-point labels; then inspect the small irreps at the A point
julia> lgirs = lgirreps(16, Val(3));
julia> lgirs["A"] 2-element Collection{LGIrrep{3}} for ⋕16 (P222) at A = [α, 0, 1/2]: A₁┌ 1: 1 └ 2₁₀₀: 1
A₂┌ 1: 1 └ 2₁₀₀: -1
construct the character table for the small irreps at the Γ point
julia> characters(lgirs["Γ"]) CharacterTable{3} for ⋕16 (P222) at Γ = [0, 0, 0]: ──────┬──────────────── │ Γ₁ Γ₂ Γ₃ Γ₄ ──────┼──────────────── 1 │ 1 1 1 1 2₁₀₀ │ 1 -1 1 -1 2₀₁₀ │ 1 -1 -1 1 2₀₀₁ │ 1 1 -1 -1 ──────┴──────────────── ```
Additional functionality includes e.g. point group operations (pointgroup) and irreps (pgirreps), elementary band representations (bandreps), Wyckoff positions (wyckoffs), conjugacy classes (classes), class-specific characters (classcharacters), group generators (generators), subperiodic groups (subperiodicgroup), 3D magnetic space groups (mspacegroup), and physically real irreps (realify).
In addition, Bravais lattice utilities and conventions are accessible via the lightweight stand-alone sub-package Bravais.jl.
For a full description of the public API, see the documentation.
Current limitations
At present, the package's emphasis is on spinless systems (i.e., double groups and spinful irreps are not implemented).
API stability
Crystalline.jl is a research package: breaking changes may occur (but will respect semantic versioning).
Citation
If you find this package useful in your reseach, please cite our paper:
- T. Christensen, H.C. Po, J.D. Joannopoulos, & M. Soljačić, Location and topology of the fundamental gap in photonic crystals, Phys. Rev. X 12, 021066 (2022).
In addition, please cite any earlier works explicitly referenced in the documentation of individual functions.
Owner
- Name: Thomas Christensen
- Login: thchr
- Kind: user
- Company: Massachusetts Institute of Technology (MIT)
- Repositories: 10
- Profile: https://github.com/thchr
Citation (CITATION.cff)
cff-version: 1.2.0
message: "Citation:"
authors:
- family-names: "Christensen"
given-names: "Thomas"
title: "Crystalline.jl"
license: "MIT"
date-released: 2022-06-27
url: "https://github.com/thchr/Crystalline.jl"
preferred-citation:
authors:
- family-names: "Christensen"
given-names: "Thomas"
- family-names: "Po"
given-names: "Hoi Chun"
- family-names: "Joannopoulos"
given-names: "John D."
- family-names: "Soljačić"
given-names: "Marin"
url: "https://doi.org/10.1103/PhysRevX.12.021066"
journal: "Phys. Rev. X"
volume: 12
pages: 021066
title: "Location and Topology of the Fundamental Gap in Photonic Crystals"
type: article
year: 2022
GitHub Events
Total
- Create event: 14
- Commit comment event: 36
- Issues event: 2
- Release event: 11
- Watch event: 3
- Delete event: 1
- Issue comment event: 25
- Push event: 146
- Pull request event: 6
- Fork event: 1
Last Year
- Create event: 14
- Commit comment event: 36
- Issues event: 2
- Release event: 11
- Watch event: 3
- Delete event: 1
- Issue comment event: 25
- Push event: 146
- Pull request event: 6
- Fork event: 1
Committers
Last synced: almost 3 years ago
All Time
- Total Commits: 680
- Total Committers: 3
- Avg Commits per committer: 226.667
- Development Distribution Score (DDS): 0.009
Top Committers
| Name | Commits | |
|---|---|---|
| Thomas Christensen | t****r@m****u | 674 |
| Ali Ghorashi | 7****T@u****m | 4 |
| github-actions[bot] | 4****]@u****m | 2 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 34
- Total pull requests: 30
- Average time to close issues: 4 months
- Average time to close pull requests: 5 months
- Total issue authors: 7
- Total pull request authors: 4
- Average comments per issue: 4.53
- Average comments per pull request: 1.63
- Merged pull requests: 13
- Bot issues: 0
- Bot pull requests: 15
Past Year
- Issues: 1
- Pull requests: 2
- Average time to close issues: N/A
- Average time to close pull requests: 18 days
- Issue authors: 1
- Pull request authors: 1
- Average comments per issue: 0.0
- Average comments per pull request: 0.5
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 2
Top Authors
Issue Authors
- thchr (24)
- AliGhorashiCMT (3)
- brainandforce (3)
- kbarros (1)
- Joh11 (1)
- JuliaTagBot (1)
- hongyi-zhao (1)
Pull Request Authors
- github-actions[bot] (16)
- AliGhorashiCMT (8)
- thchr (8)
- nalimilan (1)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 2
-
Total downloads:
- julia 113 total
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Total dependent packages: 5
(may contain duplicates) -
Total dependent repositories: 1
(may contain duplicates) - Total versions: 75
juliahub.com: Bravais
Tools for crystallographic symmetry analysis
- Documentation: https://docs.juliahub.com/General/Bravais/stable/
- License: MIT
-
Latest release: 0.2.5
published 7 months ago
Rankings
juliahub.com: Crystalline
Tools for crystallographic symmetry analysis
- Documentation: https://docs.juliahub.com/General/Crystalline/stable/
- License: MIT
-
Latest release: 0.6.20
published 7 months ago
Rankings
Dependencies
- JuliaRegistries/TagBot v1 composite
- actions/cache v1 composite
- actions/checkout v2 composite
- codecov/codecov-action v1 composite
- julia-actions/julia-buildpkg latest composite
- julia-actions/julia-processcoverage v1 composite
- julia-actions/julia-runtest latest composite
- julia-actions/setup-julia v1 composite
- actions/checkout v2 composite
- julia-actions/setup-julia latest composite