Pub Date : 2024-11-11DOI: 10.1016/j.softx.2024.101954
Jaebum Noh , Hanlyun Cho , Cherry Park , Dohyun Kang , Yujin Park , Junsuk Rho
Metalens design and optimization software (MetaCraft) is a Python-based software that generates a variety of metalens designs based on the user preferences. The design of metalenses involves the time-wise and computationally expensive tasks of searching for the appropriate components. Additionally, designers must ensure that the generated designs are compatible with fabrication capabilities, given that optical metalenses consist of nanoscale structures and elements. Currently, there is a shortage of dedicated software for metalens designs, and even fewer tools are available that can customize designs based on specific requests. MetaCraft is designed with an intuitive interface to allow users unfamiliar with coding to easily navigate through the graphical user interface. This study describes the basic usage of MetaCraft, elucidates its compositional framework, and substantiates the software's performance by comparing the results with the previously reported ones in metalens research.
{"title":"MetaCraft: Database-driven metalens design and optimization software","authors":"Jaebum Noh , Hanlyun Cho , Cherry Park , Dohyun Kang , Yujin Park , Junsuk Rho","doi":"10.1016/j.softx.2024.101954","DOIUrl":"10.1016/j.softx.2024.101954","url":null,"abstract":"<div><div>Metalens design and optimization software (MetaCraft) is a Python-based software that generates a variety of metalens designs based on the user preferences. The design of metalenses involves the time-wise and computationally expensive tasks of searching for the appropriate components. Additionally, designers must ensure that the generated designs are compatible with fabrication capabilities, given that optical metalenses consist of nanoscale structures and elements. Currently, there is a shortage of dedicated software for metalens designs, and even fewer tools are available that can customize designs based on specific requests. MetaCraft is designed with an intuitive interface to allow users unfamiliar with coding to easily navigate through the graphical user interface. This study describes the basic usage of MetaCraft, elucidates its compositional framework, and substantiates the software's performance by comparing the results with the previously reported ones in metalens research.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101954"},"PeriodicalIF":2.4,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-10DOI: 10.1016/j.softx.2024.101953
Miriam Esteve, Antonio Falcó
Due to the rapid proliferation of mobile devices and advanced tracking sensors, there is a significant increase in data production daily. In response, we have created tramoTDA, a Python library that uses Topological Data Analysis (TDA) to enable intuitive and visually-oriented classification of trajectory data. This tool offers a unique approach by focusing on the data’s topological properties, which enables the identification of subtle and critical patterns often missed by conventional methods. tramoTDA combines scientific rigor with user-friendly design, making it suitable for both technical and non-technical users in diverse applications such as urban planning and maritime navigation. Through its innovative use of TDA, tramoTDA not only enhances data interpretation but also facilitates new research opportunities in complex system analysis, positioning it as a pivotal resource in data science and analytics.
{"title":"tramoTDA: A trajectory monitoring system using Topological Data Analysis","authors":"Miriam Esteve, Antonio Falcó","doi":"10.1016/j.softx.2024.101953","DOIUrl":"10.1016/j.softx.2024.101953","url":null,"abstract":"<div><div>Due to the rapid proliferation of mobile devices and advanced tracking sensors, there is a significant increase in data production daily. In response, we have created <em>tramoTDA</em>, a Python library that uses Topological Data Analysis (TDA) to enable intuitive and visually-oriented classification of trajectory data. This tool offers a unique approach by focusing on the data’s topological properties, which enables the identification of subtle and critical patterns often missed by conventional methods. <em>tramoTDA</em> combines scientific rigor with user-friendly design, making it suitable for both technical and non-technical users in diverse applications such as urban planning and maritime navigation. Through its innovative use of TDA, <em>tramoTDA</em> not only enhances data interpretation but also facilitates new research opportunities in complex system analysis, positioning it as a pivotal resource in data science and analytics.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101953"},"PeriodicalIF":2.4,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-09DOI: 10.1016/j.softx.2024.101967
Youxiang Jiang, Qing Zeng, Hongbo Wen
This paper presents TestAnaAPP, an interactive, user-friendly R package designed for conducting psychometric analyses in social science. It offers a comprehensive suite of psychometric analyses, including factor analysis (FA), classical test theory (CTT), unidimensional and multidimensional item response theory (IRT), continuous response model (CRM), and differential item functioning (DIF) analysis. These methods are commonly employed in data mining of tests and questionnaires. As demonstrated in this paper, TestAnaAPP empowers researchers and practitioners from diverse fields with an interest in applying psychometric methods to seamlessly perform analyses, access comprehensive data analysis results, generate visualizations, obtain detailed analysis reports, and more.
本文介绍的 TestAnaAPP 是一个交互式、用户友好的 R 软件包，设计用于在社会科学领域进行心理测量分析。它提供了一套全面的心理测量分析方法，包括因子分析（FA）、经典测验理论（CTT）、单维和多维项目反应理论（IRT）、连续反应模型（CRM）和差异项目功能（DIF）分析。这些方法通常用于测试和问卷的数据挖掘。正如本文所展示的那样，TestAnaAPP 使来自不同领域、对应用心理测量方法感兴趣的研究人员和从业人员能够无缝地执行分析、访问全面的数据分析结果、生成可视化结果、获取详细的分析报告等。
{"title":"TestAnaAPP: An interactive R-shiny application for various test analysis methods","authors":"Youxiang Jiang, Qing Zeng, Hongbo Wen","doi":"10.1016/j.softx.2024.101967","DOIUrl":"10.1016/j.softx.2024.101967","url":null,"abstract":"<div><div>This paper presents <em>TestAnaAPP</em>, an interactive, user-friendly R package designed for conducting psychometric analyses in social science. It offers a comprehensive suite of psychometric analyses, including factor analysis (FA), classical test theory (CTT), unidimensional and multidimensional item response theory (IRT), continuous response model (CRM), and differential item functioning (DIF) analysis. These methods are commonly employed in data mining of tests and questionnaires. As demonstrated in this paper, <em>TestAnaAPP</em> empowers researchers and practitioners from diverse fields with an interest in applying psychometric methods to seamlessly perform analyses, access comprehensive data analysis results, generate visualizations, obtain detailed analysis reports, and more.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101967"},"PeriodicalIF":2.4,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-07DOI: 10.1016/j.softx.2024.101947
Andrés Neyem , Agustín Rios-Letelier , Kevin Céspedes-Arancibia , Juan Pablo Sandoval Alcocer , Marcelo Mendoza
Software Capstone Projects provide valuable hands-on experience for students in software development, and creating effective commit messages is an essential, though often challenging, part of this process. These messages play a key role in managing repositories, facilitating collaboration, and offering insights into the project’s progression for mentors and managers. However, creating high-quality commit messages can be challenging, especially for novice developers. We introduce LetsCommit, a tool designed to improve the traditional Git commit command line interface. The tool utilizes three state-of-the-art Large Language Models (LLMs): GPT-3.5, GPT-4, and LLaMa-2, to provide commit message suggestions to students. Results from a user experience survey showed high satisfaction, indicating strong potential for incorporating LetsCommit into future projects. Beyond its technical applications, LetsCommit possesses transformative potential in the field of education. The iterative learning process it supports, coupled with real-time insights, reinforces good software development practices and enhances the overall learning experience. These findings highlight LetsCommit’s substantial impact on software engineering education, setting the stage for further advancements.
{"title":"Enhancing commit message quality in software capstone projects with generative AI","authors":"Andrés Neyem , Agustín Rios-Letelier , Kevin Céspedes-Arancibia , Juan Pablo Sandoval Alcocer , Marcelo Mendoza","doi":"10.1016/j.softx.2024.101947","DOIUrl":"10.1016/j.softx.2024.101947","url":null,"abstract":"<div><div>Software Capstone Projects provide valuable hands-on experience for students in software development, and creating effective commit messages is an essential, though often challenging, part of this process. These messages play a key role in managing repositories, facilitating collaboration, and offering insights into the project’s progression for mentors and managers. However, creating high-quality commit messages can be challenging, especially for novice developers. We introduce <em>LetsCommit</em>, a tool designed to improve the traditional Git commit command line interface. The tool utilizes three state-of-the-art Large Language Models (LLMs): GPT-3.5, GPT-4, and LLaMa-2, to provide commit message suggestions to students. Results from a user experience survey showed high satisfaction, indicating strong potential for incorporating <em>LetsCommit</em> into future projects. Beyond its technical applications, <em>LetsCommit</em> possesses transformative potential in the field of education. The iterative learning process it supports, coupled with real-time insights, reinforces good software development practices and enhances the overall learning experience. These findings highlight <em>LetsCommit</em>’s substantial impact on software engineering education, setting the stage for further advancements.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101947"},"PeriodicalIF":2.4,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-07DOI: 10.1016/j.softx.2024.101945
Nick Plathe , Markus M. Becker , Steffen Franke
This work introduces the “pyJSON Schema Loader and JSON Editor”, a client-side desktop application for offline and local environments capable of creating, editing and tracking metadata-containing JSON documents. The newly developed tool aims to support the generation and re-use of structured metadata, required for the implementation of research data management and the FAIR data principles in research workflows. pyJSON is written in Python, a modern and flexible programming language. The interface consists of a table-like view tailored to present JSON documents, enriched with information from the corresponding JSON schema. It shall assist in creating and maintaining documents containing metadata by simplifying the process of generation and editing based on a given schema. It is used to document data sets, data collections and devices in a local file structure, intending to support the transition from paper-based documentation to more modern research data management workflows, while sustaining a uniform and standardised structure, without the need to bind users to an often complex and resource demanding database system.
{"title":"pyJSON Schema Loader and JSON Editor: A tool for file-based metadata management","authors":"Nick Plathe , Markus M. Becker , Steffen Franke","doi":"10.1016/j.softx.2024.101945","DOIUrl":"10.1016/j.softx.2024.101945","url":null,"abstract":"<div><div>This work introduces the “pyJSON Schema Loader and JSON Editor”, a client-side desktop application for offline and local environments capable of creating, editing and tracking metadata-containing JSON documents. The newly developed tool aims to support the generation and re-use of structured metadata, required for the implementation of research data management and the FAIR data principles in research workflows. pyJSON is written in Python, a modern and flexible programming language. The interface consists of a table-like view tailored to present JSON documents, enriched with information from the corresponding JSON schema. It shall assist in creating and maintaining documents containing metadata by simplifying the process of generation and editing based on a given schema. It is used to document data sets, data collections and devices in a local file structure, intending to support the transition from paper-based documentation to more modern research data management workflows, while sustaining a uniform and standardised structure, without the need to bind users to an often complex and resource demanding database system.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101945"},"PeriodicalIF":2.4,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-07DOI: 10.1016/j.softx.2024.101936
Thanos Petsanis , Athanasios Ch. Kapoutsis , Elias B. Kosmatopoulos
In this paper we present a Blender add-on named LFG that allows for easy, large and realistic, 3D model LandFill Generation. Large datasets of vast, diverse synthetic landfills are hard to come by, and greatly in need for the purposes of developing and evaluating a multitude of algorithms (e.g. waste classification, 3D-reconstruction, volume estimation algorithms) in the context of research against environment crime. Additionally, they can be used alongside UAV simulators for the development of path-planning algorithms. Although there are some 3D models of landfills available on online 3D-model marketplaces, these are often expensive, low-quality, low-variety and unalterable models. LFG offers customizable, expandable options and realistic features tailored for landfill generation and research.
{"title":"LFG: An easy-to-use realistic synthetic LandFill Generator","authors":"Thanos Petsanis , Athanasios Ch. Kapoutsis , Elias B. Kosmatopoulos","doi":"10.1016/j.softx.2024.101936","DOIUrl":"10.1016/j.softx.2024.101936","url":null,"abstract":"<div><div>In this paper we present a Blender add-on named <strong>LFG</strong> that allows for easy, large and realistic, 3D model <strong>L</strong>and<strong>F</strong>ill <strong>G</strong>eneration. Large datasets of vast, diverse synthetic landfills are hard to come by, and greatly in need for the purposes of developing and evaluating a multitude of algorithms (e.g. waste classification, 3D-reconstruction, volume estimation algorithms) in the context of research against environment crime. Additionally, they can be used alongside UAV simulators for the development of path-planning algorithms. Although there are some 3D models of landfills available on online 3D-model marketplaces, these are often expensive, low-quality, low-variety and unalterable models. LFG offers customizable, expandable options and realistic features tailored for landfill generation and research.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101936"},"PeriodicalIF":2.4,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.softx.2024.101937
Jansen P. Berryhill, Jacob K. Spinti, David O. Lignell
Laminar flame codes have an important role in combustion modeling. They can provide a fundamental understanding of flame dynamics and provide a basis for building subgrid scale models in turbulent flow simulations. This paper presents Ignis, an open-source laminar flame code with the capability to offload submodels, like soot formation and radiation, using external packages and libraries. Ignis is written in C++, is documented with Doxygen, and is available on GitHub. It contains three different flame formulations: diffusion flames, premixed flames, and laminar flamelets solved in the mixture fraction coordinate. An option to facilitate creation of a diffusion flame table is also included. These options allow for Ignis to be used as a flame model for comparisons against experimental data, for use in turbulent subgrid models, or for flame structure investigations.
{"title":"Ignis: A one-dimensional laminar flame code","authors":"Jansen P. Berryhill, Jacob K. Spinti, David O. Lignell","doi":"10.1016/j.softx.2024.101937","DOIUrl":"10.1016/j.softx.2024.101937","url":null,"abstract":"<div><div>Laminar flame codes have an important role in combustion modeling. They can provide a fundamental understanding of flame dynamics and provide a basis for building subgrid scale models in turbulent flow simulations. This paper presents Ignis, an open-source laminar flame code with the capability to offload submodels, like soot formation and radiation, using external packages and libraries. Ignis is written in C++, is documented with Doxygen, and is available on GitHub. It contains three different flame formulations: diffusion flames, premixed flames, and laminar flamelets solved in the mixture fraction coordinate. An option to facilitate creation of a diffusion flame table is also included. These options allow for Ignis to be used as a flame model for comparisons against experimental data, for use in turbulent subgrid models, or for flame structure investigations.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101937"},"PeriodicalIF":2.4,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.softx.2024.101888
Andric Valdez-Valenzuela , Helena Gómez-Adorno
This paper introduces a new Python API called text2graphAPI. It is an easy-to-use library for transforming text documents into different graph representations, such as Word-Cooccurrence, Heterogeneous, and Integrated Syntactic Graphs. In addition, it contains a text pre-processing module that supports input text in different languages: English, Spanish, and French. These generated graph structures can be used to solve tasks in various areas, such as Authorship Analysis, Information Retrieval, and Topic Classification, to name a few.
{"title":"text2graphAPI: A library to transform text documents into different graph representations","authors":"Andric Valdez-Valenzuela , Helena Gómez-Adorno","doi":"10.1016/j.softx.2024.101888","DOIUrl":"10.1016/j.softx.2024.101888","url":null,"abstract":"<div><div>This paper introduces a new Python API called text2graphAPI. It is an easy-to-use library for transforming text documents into different graph representations, such as Word-Cooccurrence, Heterogeneous, and Integrated Syntactic Graphs. In addition, it contains a text pre-processing module that supports input text in different languages: English, Spanish, and French. These generated graph structures can be used to solve tasks in various areas, such as Authorship Analysis, Information Retrieval, and Topic Classification, to name a few.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101888"},"PeriodicalIF":2.4,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.softx.2024.101935
Carlos Argáez
This is an update to PII: S2352711020303290, LyapXool is a C＋＋ program to compute complete Lyapunov functions and their orbital derivatives for any dynamical system expressed by an autonomous ordinary differential equation. New methods and improvements made in the third version are discussed. In particular, the computation of complete Lyapunov functions within quadratic programming methods are now computed by the software. These new approaches can be used to better analyse the behaviour of dynamical systems expressed as systems of autonomous equations. The structure of the program is object-oriented rather than procedural and the output formatting has been restructured to make it easier to understand. The program maintains its user friendliness. This paper describes how the code is organised, how it can be used to compute complete Lyapunov functions and their subsequent properties for dynamical systems, and it provides an interesting example of its application.
{"title":"Update (3.0) to LyapXool: Quadratic programming","authors":"Carlos Argáez","doi":"10.1016/j.softx.2024.101935","DOIUrl":"10.1016/j.softx.2024.101935","url":null,"abstract":"<div><div>This is an update to PII: S2352711020303290, LyapXool is a C＋＋ program to compute complete Lyapunov functions and their orbital derivatives for any dynamical system expressed by an autonomous ordinary differential equation. New methods and improvements made in the third version are discussed. In particular, the computation of complete Lyapunov functions within quadratic programming methods are now computed by the software. These new approaches can be used to better analyse the behaviour of dynamical systems expressed as systems of autonomous equations. The structure of the program is object-oriented rather than procedural and the output formatting has been restructured to make it easier to understand. The program maintains its user friendliness. This paper describes how the code is organised, how it can be used to compute complete Lyapunov functions and their subsequent properties for dynamical systems, and it provides an interesting example of its application.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101935"},"PeriodicalIF":2.4,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-05DOI: 10.1016/j.softx.2024.101929
Arham Amouye Foumani
In this paper, the MPI-based parallel library Free Molecular Dynamics (FMD) is introduced. The general structure of a typical program utilizing FMD to perform classical molecular dynamics (MD) simulation is described. Much of the paper is devoted to one of the advanced features of FMD: its ability to compute physical fields defined on distributed grids (a.k.a. “turies”). Each cell of a distributed grid may be shared among any number of MPI processes. Distributed grids can be used to combine MD with continuum models or to obtain macroscopic quantities, e.g. density, as functions of time and space. The library is designed to provide an easy to use interface for its users, as well as equip its developers with reusable tools required for expanding the code.
{"title":"FMD: A parallel library for performing classical molecular dynamics simulations","authors":"Arham Amouye Foumani","doi":"10.1016/j.softx.2024.101929","DOIUrl":"10.1016/j.softx.2024.101929","url":null,"abstract":"<div><div>In this paper, the MPI-based parallel library Free Molecular Dynamics (FMD) is introduced. The general structure of a typical program utilizing FMD to perform classical molecular dynamics (MD) simulation is described. Much of the paper is devoted to one of the advanced features of FMD: its ability to compute physical fields defined on distributed grids (a.k.a. “turies”). Each cell of a distributed grid may be shared among any number of MPI processes. Distributed grids can be used to combine MD with continuum models or to obtain macroscopic quantities, e.g. density, as functions of time and space. The library is designed to provide an easy to use interface for its users, as well as equip its developers with reusable tools required for expanding the code.</div></div>","PeriodicalId":21905,"journal":{"name":"SoftwareX","volume":"28 ","pages":"Article 101929"},"PeriodicalIF":2.4,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号