ModeCouplingTheory.jl
ModeCouplingTheory.jl: A solver for mode-coupling-theory-like integro-differential equations - Published in JOSS (2023)
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Published in Journal of Open Source Software
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A generic and fast solver of mode-coupling theory-like integrodifferential equations
Basic Info
Statistics
- Stars: 21
- Watchers: 2
- Forks: 7
- Open Issues: 0
- Releases: 23
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Metadata Files
README.md
ModeCouplingTheory.jl
A generic and fast solver of mode-coupling theory-like integrodifferential equations. It uses the algorithm outlined in Fuchs et al. to solve equations of the form $$\alpha \ddot{F}(t) + \beta \dot{F}(t) + \gamma F(t) + \delta + \int_0^t d\tau K(t-\tau)\dot{F}(\tau) = 0, $$ in which $\alpha$, $\beta$, $\gamma$, and $\delta$ are (possibly time-dependent) coefficients, and $K(t) = K(F(t), t)$ is a memory kernel that may nonlinearly depend on $F(t)$. This package exports some commonly used memory kernels, but it is straightforward to define your own. The solver is differentiable and works for scalar- and vector-valued functions $F(t)$. For more information see the Documentation. If you use this software, please consider citing this paper.
Installation
To install the package run:
julia
import Pkg
Pkg.add("ModeCouplingTheory")
In order to install and use it from Python, see the From Python page of the documentation.
Example usage:
We can use one of the predefined memory kernels
```julia julia> using ModeCouplingTheory julia> ν = 3.999 3.999
julia> kernel = SchematicF2Kernel(ν)
SchematicF2Kernel{Float64}(3.999)
``
This kernel evaluatesK(t) = ν F(t)^2` when called.
We can now define the equation we want to solve as follows:
julia
julia> α = 1.0; β = 0.0; γ = 1.0; δ = 0.0; F0 = 1.0; ∂F0 = 0.0;
julia> equation = MemoryEquation(α, β, γ, δ, F0, ∂F0, kernel);
Which we can solve by calling solve:
julia
julia> sol = solve(equation);
julia> using Plots
julia> t = get_t(sol)
julia> F = get_F(sol)
julia> plot(log10.(t), F)
Contributing
Please open an issue if anything is unclear in the documentation, if any unexpected errors arise or for feature requests (such as additional kernels). Pull requests are of course also welcome.
Owner
- Login: IlianPihlajamaa
- Kind: user
- Repositories: 3
- Profile: https://github.com/IlianPihlajamaa
JOSS Publication
ModeCouplingTheory.jl: A solver for mode-coupling-theory-like integro-differential equations
Authors
Soft Matter and Biological Physics, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, Netherlands
Soft Matter and Biological Physics, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, Netherlands
Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), Köln, 51170, Germany, Heinrich Heine University, Universitätsstraße 1, Düsseldorf, 40225, Germany
Soft Matter and Biological Physics, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, Netherlands
Editor
Marcel Stimberg
Tags
julia python dynamics glasses liquids integral equations differential equationsCitation (CITATION.cff)
cff-version: "1.2.0"
authors:
- family-names: Pihlajamaa
given-names: Ilian
orcid: "https://orcid.org/0000-0003-3779-4281"
- family-names: Laudicina
given-names: Corentin C. L.
orcid: "https://orcid.org/0009-0000-1888-2417"
- family-names: Voigtmann
given-names: Thomas
orcid: "https://orcid.org/0000-0002-1261-9295"
- family-names: Janssen
given-names: Liesbeth M. C.
orcid: "https://orcid.org/0000-0001-5283-1330"
contact:
- family-names: Janssen
given-names: Liesbeth M. C.
orcid: "https://orcid.org/0000-0001-5283-1330"
doi: 10.5281/zenodo.10036791
message: If you use this software, please cite our article in the
Journal of Open Source Software.
preferred-citation:
authors:
- family-names: Pihlajamaa
given-names: Ilian
orcid: "https://orcid.org/0000-0003-3779-4281"
- family-names: Laudicina
given-names: Corentin C. L.
orcid: "https://orcid.org/0009-0000-1888-2417"
- family-names: Voigtmann
given-names: Thomas
orcid: "https://orcid.org/0000-0002-1261-9295"
- family-names: Janssen
given-names: Liesbeth M. C.
orcid: "https://orcid.org/0000-0001-5283-1330"
date-published: 2023-11-03
doi: 10.21105/joss.05737
issn: 2475-9066
issue: 91
journal: Journal of Open Source Software
publisher:
name: Open Journals
start: 5737
title: "ModeCouplingTheory.jl: A solver for mode-coupling-theory-like
integro-differential equations"
type: article
url: "https://joss.theoj.org/papers/10.21105/joss.05737"
volume: 8
title: "ModeCouplingTheory.jl: A solver for mode-coupling-theory-like
integro-differential equations"
GitHub Events
Total
- Release event: 2
- Watch event: 8
- Issue comment event: 1
- Push event: 13
- Pull request event: 4
- Pull request review event: 1
- Fork event: 1
- Create event: 3
Last Year
- Release event: 2
- Watch event: 8
- Issue comment event: 1
- Push event: 13
- Pull request event: 4
- Pull request review event: 1
- Fork event: 1
- Create event: 3
Committers
Last synced: 7 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Ilian Pihlajamaa | i****a@g****m | 233 |
| corentin_laudicina | 3****a | 25 |
| Thomas Voigtmann | t****n@d****e | 7 |
| CompatHelper Julia | c****y@j****g | 4 |
| Ricardo Peredo-Ortiz | 6****o | 2 |
| Marcel Stimberg | m****g@s****r | 2 |
| Daniel S. Katz | d****z@i****g | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 15
- Total pull requests: 31
- Average time to close issues: about 2 months
- Average time to close pull requests: 7 days
- Total issue authors: 3
- Total pull request authors: 7
- Average comments per issue: 1.73
- Average comments per pull request: 1.06
- Merged pull requests: 27
- Bot issues: 0
- Bot pull requests: 8
Past Year
- Issues: 0
- Pull requests: 1
- Average time to close issues: N/A
- Average time to close pull requests: less than a minute
- Issue authors: 0
- Pull request authors: 1
- Average comments per issue: 0
- Average comments per pull request: 0.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- IlianPihlajamaa (13)
- JuliaTagBot (1)
- thvoigtmann (1)
Pull Request Authors
- IlianPihlajamaa (17)
- github-actions[bot] (8)
- corentinlaudicina (6)
- Riperedo (4)
- thvoigtmann (2)
- TeunikevandePol (2)
- mstimberg (1)
- danielskatz (1)
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Packages
- Total packages: 1
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Total downloads:
- julia 12 total
- Total dependent packages: 0
- Total dependent repositories: 0
- Total versions: 23
juliahub.com: ModeCouplingTheory
A generic and fast solver of mode-coupling theory-like integrodifferential equations
- Documentation: https://docs.juliahub.com/General/ModeCouplingTheory/stable/
- License: MIT
-
Latest release: 0.8.9
published 7 months ago
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