---
Type: desktop-application
ID: fr.ipcms.atomes
Package: atomes
ProjectLicense: AGPL-3.0-or-later
Name:
C: atomes
Summary:
fr: Une boite à outils pour la modélisation à l'échelle atomique
C: An atomic scale modeling toolbox
Description:
fr: >-
<p>atomes: une boîte à outils pour analyser, visualiser et créer/éditer des modèles 3D à l'échelle atomique. L'interface du logiciel
offre un espace de travail qui permet d'avoir plusieurs projets ouvert simultanément. Les différents projets de l'espace de travail
peuvent échanger des données: résultats d'analyses, coordonnées atomiques...</p>
<p>atomes propose également un système avancé de préparation de fichiers d'entrée pour des calculs externes avec des
codes de Dynamique Moléculaire bien connus:</p>
<ul>
</ul>
<ul>
</ul>
<p>Préparer les fichiers d'entrée pour ces calculs est généralement le point clef, et l'étape la plus complexe pour réaliser
des calculs de DM. atomes propose des assistants à l'interface utilisateur conviviale pour aider et guider le scientifique pas à pas
pour réaliser cette étape cruciale.</p>
C: >-
<p>atomes: a toolbox to analyze, to visualize and to create/edit 3D atomic scale models. The software interface offers a workspace
that allows to have many projects opened simultaneously. The different projects in the workspace can exchange data: analysis results,
atomic coordinates...</p>
<p>atomes also provides an advanced input preparation system for further calculations using well known Molecular Dynamics
codes:</p>
<ul>
<li>Classical MD: DLPOLY and LAMMPS</li>
<li>ab-initio MD: CPMD and CP2K</li>
<li>Hybrid MD (QM-MM): CPMD and CP2K</li>
</ul>
<ul>
<li>DM classique: DLPOLY et LAMMPS</li>
<li>DM ab-initio: CPMD et CP2K</li>
<li>DM hybride (QM-MM): CPMD et CP2K</li>
</ul>
<p>To prepare the input files for these calculations is likely to be the key, and most complicated step towards MD simulations.
atomes offers a user-friendly assistant to help and guide the scientist step by step to achieve this crucial step.</p>
Developer:
name:
C: Dr. Sébastien Le Roux
Categories:
- Education
- Science
- Chemistry
- Physics
Keywords:
fr:
- chimie
- physique
- atome
- molécule
- cristal
- coordination
- polyhèdre
- mesure
- volume
- constructeur
- matériau
C:
- chemistry
- physics
- atom
- molecule
- crystal
- coordination
- polyhedra
- measure
- volume
- builder
- material
es:
- química
- física
- átomo
- molécula
- cristal
- ccoordinación
- poliedro
- medida
- volumen
- constructor
- material
Url:
homepage: https://atomes.ipcms.fr/
bugtracker: https://github.com/Slookeur/atomes/issues/new/choose
Icon:
cached:
- name: atomes_atomes.png
width: 64
height: 64
stock: atomes
Launchable:
desktop-id:
- atomes.desktop
Provides:
ids:
- atomes.desktop
mediatypes:
- application/x-awf
- application/x-apf
- application/x-ipf
- application/x-xyz
- application/x-pdb
- application/x-ent
- application/x-cif
- application/x-trj
- application/x-xdatcar
- application/x-c3d
- application/x-hist
Screenshots:
- default: true
caption:
C: Overview of the atomes program
thumbnails:
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-2_1248x702@1.png
width: 1248
height: 702
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-2_752x423@1.png
width: 752
height: 423
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-2_624x351@1.png
width: 624
height: 351
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-2_224x126@1.png
width: 224
height: 126
source-image:
url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-2_orig.png
width: 1600
height: 900
- caption:
C: Physico-chemical analysis in the atomes program
thumbnails:
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-3_1248x702@1.png
width: 1248
height: 702
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-3_752x423@1.png
width: 752
height: 423
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-3_624x351@1.png
width: 624
height: 351
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-3_224x126@1.png
width: 224
height: 126
source-image:
url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-3_orig.png
width: 1600
height: 900
- caption:
C: Visualization tools in the atomes program
thumbnails:
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-4_1248x702@1.png
width: 1248
height: 702
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-4_752x423@1.png
width: 752
height: 423
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-4_624x351@1.png
width: 624
height: 351
- url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-4_224x126@1.png
width: 224
height: 126
source-image:
url: fr/ipcms/atomes/00f1696141d3820b58356cabddd8766a/screenshots/image-4_orig.png
width: 1600
height: 900
Releases:
- version: "1.3.1"
type: stable
unix-timestamp: 1781136000
description:
C: >-
<p>Release of version 1.3.1:</p>
<p>- Bug correction, see: https://github.com/Slookeur/atomes-GNU/releases/tag/v1.3.1</p>
- version: "1.3.0"
type: stable
unix-timestamp: 1781136000
description:
C: >-
<p>Release of version 1.3.0:</p>
<p>- New features, see: https://github.com/Slookeur/atomes-GNU/releases/tag/v1.3.0</p>
<p>- Improvements, see: https://github.com/Slookeur/atomes-GNU/releases/tag/v1.3.0</p>
<p>- Bug correction, see: https://github.com/Slookeur/atomes-GNU/releases/tag/v1.3.0</p>
- version: "1.2.1"
type: stable
unix-timestamp: 1759190400
description:
C: >-
<p>Release of version 1.2.1:</p>
<p>- Bug correction, see: https://github.com/Slookeur/atomes-GNU/releases/tag/v1.2.1</p>
- version: "1.2.0"
type: stable
unix-timestamp: 1757030400
description:
C: >-
<p>Release of version 1.2.0:</p>
<p>- New features, see: https://github.com/Slookeur/atomes-GNU/releases/tag/v1.2.0</p>
ContentRating:
oars-1.1: {}
