From 5f0eaa83a7bc6b528e42f10351984ee9d8c72a5a Mon Sep 17 00:00:00 2001 From: Thomas Friedrich Date: Mon, 4 Nov 2024 13:02:06 +0000 Subject: [PATCH] update --- paper.md | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/paper.md b/paper.md index 2a5c8f4..913f21f 100644 --- a/paper.md +++ b/paper.md @@ -25,11 +25,17 @@ bibliography: paper.bib # Summary -__Lammps_VSCODE__ is a editor-extension vor [vscode](https://code.visualstudio.com/) that supports materials scientiest working with the molecular dynamics software [__LAMMPS__](https://www.lammps.org). LAMMPS is an extensive, open-source molecular dynamics code with nearly 1000 high-level commands in its scripting environment. The code is constantly evolving with more than 250 contributors and regular release cycles. Using and understanding the these commands in LAMMPS-Input scipts can be challenging, especially for beginners. Lammps_VSCODE provides an editor extension for Microsofts popular code editor "Visual Studio Code" (vscode) that provides an interface to LAMMPS and its extensive documentation and script syntax. The extension provides syntax highlighting, tooltips, embedded offline documentation for all LAMMPS commands, autocomplete suggestions, a limited number of pre-run-checks and a simulation dashboard with interactive plotting of log-data and 3D-visualizations of atomic structure files. The extension is being updated automatically through a continuous integration pipeline on a mothly schedule to ensure ongoing compatability with the latest official LAMMPS release. +Lammps_VSCODE is a extension-package for Microsofts popular code editor ["Visual Studio Code" (vscode)](https://code.visualstudio.com/) that supports materials scientiest working with the molecular dynamics software [LAMMPS](https://www.lammps.org). LAMMPS is an extensive, open-source molecular dynamics code with nearly 1000 high-level commands in its scripting environment. The code is constantly evolving with more than 250 contributors and regular release cycles. Using and understanding the these commands in LAMMPS-Input scipts can be challenging, especially for beginners. Lammps_VSCODE provides an interface to LAMMPS and its extensive documentation and script syntax and implements functionalities such as syntax highlighting, tooltips, embedded offline documentation for all LAMMPS commands, autocomplete suggestions, a limited number of pre-run-checks and a simulation dashboard with interactive plotting of log-data and 3D-visualizations of atomic structure files. The extension is being updated automatically through a continuous integration pipeline on a monthly schedule to ensure ongoing compatability with the latest official LAMMPS release. # Statement of need -scientific publications [@Thompson2022; @Plimpton1995; @Kloss2012] Online Tutorials [@Fahim2022; @Mihok2022] +LAMMPS stands for "Large-scale Atomic/Molecular Massively Parallel Simulator" and is a classical molecular dynamics code. The development began in the 1990s at Sandia National labs [@Plimpton1995] and continues to this day as an open source project with a large number of contributors and an even larger number of users. The scripting language used for setting up LAMMPS simulations has 1387 documented commands in the release branch of the GitHub repository at the time of writing and several [parsing rules](https://docs.lammps.org/Commands_parse.html), which add a layer of complexity. The actual scripts are usually not particularly extensive and consist of [four main parts](https://docs.lammps.org/Commands_structure.html): + 1. Initializations + 2. System definitions + 3. Simulation settings + 4. Simulation execution +However, +scientific publications [@Thompson2022; @Kloss2012] Online Tutorials [@Fahim2022; @Mihok2022] # Figures