Aligning active particles py package

The package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one class of the covered models, the microscopic dynamics is determined by certain time discrete interact...

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Autor: Rüdiger, Kürsten
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/219261
Acceso en línea:https://hdl.handle.net/2445/219261
Access Level:acceso abierto
Palabra clave:Matèria
Sistemes hamiltonians
Dinàmica molecular
Matter
Hamiltonian systems
Molecular dynamics
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spelling Aligning active particles py packageRüdiger, KürstenMatèriaSistemes hamiltoniansDinàmica molecularMatterHamiltonian systemsMolecular dynamicsThe package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one class of the covered models, the microscopic dynamics is determined by certain time discrete interaction rules. Thus, it is no Hamiltonian dynamics and quantities such as energy are not defined. In the other class of considered models (that are generally believed to behave qualitatively the same) Brownian dynamics is considered. However, also there, the forces are not derived from a Hamiltonian. Furthermore, in most cases, the forces depend on the state of all particles and can not be decomposed into a sum of forces that only depend on the states of pairs of particles. Due to the above specified features of the microscopic dynamics of such models, they are not implemented in major molecular dynamics simulation frameworks to the best of the authors knowledge. Models that are covered by this package have been studied with agent-based simulations by dozens of papers. However, no simulation framework of such models seems to be openly available. The program is provided as a Python package. The simulation code is written in C. In the current version, parallelization is not implemented.Elsevier B.V.2023info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/219261Articles publicats en revistes (Física de la Matèria Condensada)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: https://doi.org/10.1016/j.cpc.2023.108774Computer Physics Communications, 2023, vol. 290https://doi.org/10.1016/j.cpc.2023.108774cc-by-nc-nd (c) Rüdiger, Kürsten, 2023http://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/2192612026-05-27T06:46:51Z
dc.title.none.fl_str_mv Aligning active particles py package
title Aligning active particles py package
spellingShingle Aligning active particles py package
Rüdiger, Kürsten
Matèria
Sistemes hamiltonians
Dinàmica molecular
Matter
Hamiltonian systems
Molecular dynamics
title_short Aligning active particles py package
title_full Aligning active particles py package
title_fullStr Aligning active particles py package
title_full_unstemmed Aligning active particles py package
title_sort Aligning active particles py package
dc.creator.none.fl_str_mv Rüdiger, Kürsten
author Rüdiger, Kürsten
author_facet Rüdiger, Kürsten
author_role author
dc.subject.none.fl_str_mv Matèria
Sistemes hamiltonians
Dinàmica molecular
Matter
Hamiltonian systems
Molecular dynamics
topic Matèria
Sistemes hamiltonians
Dinàmica molecular
Matter
Hamiltonian systems
Molecular dynamics
description The package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one class of the covered models, the microscopic dynamics is determined by certain time discrete interaction rules. Thus, it is no Hamiltonian dynamics and quantities such as energy are not defined. In the other class of considered models (that are generally believed to behave qualitatively the same) Brownian dynamics is considered. However, also there, the forces are not derived from a Hamiltonian. Furthermore, in most cases, the forces depend on the state of all particles and can not be decomposed into a sum of forces that only depend on the states of pairs of particles. Due to the above specified features of the microscopic dynamics of such models, they are not implemented in major molecular dynamics simulation frameworks to the best of the authors knowledge. Models that are covered by this package have been studied with agent-based simulations by dozens of papers. However, no simulation framework of such models seems to be openly available. The program is provided as a Python package. The simulation code is written in C. In the current version, parallelization is not implemented.
publishDate 2023
dc.date.none.fl_str_mv 2023
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/219261
url https://hdl.handle.net/2445/219261
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1016/j.cpc.2023.108774
Computer Physics Communications, 2023, vol. 290
https://doi.org/10.1016/j.cpc.2023.108774
dc.rights.none.fl_str_mv cc-by-nc-nd (c) Rüdiger, Kürsten, 2023
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by-nc-nd (c) Rüdiger, Kürsten, 2023
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier B.V.
publisher.none.fl_str_mv Elsevier B.V.
dc.source.none.fl_str_mv Articles publicats en revistes (Física de la Matèria Condensada)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.812455

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