This is the Linux app named Atomes whose latest release can be downloaded as atomes-latest-setup.exe. It can be run online in the free hosting provider OnWorks for workstations.
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Atomes
DESCRIPTION
Atomes is a Free (Open Source) cross-platform software licensed under the terms
of the Affero GPL v3+ license.
Atoms is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models.
Atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes:
- Classical MD : DL-POLY and LAMMPS
- ab-initio MD : CPMD and CP2K
- QM-MM MD : CPMD and CP2K
Atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS
Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg.
Features
- Analysis of 3D atomistic model: neutron and x-rays diffraction, rings statistics, chain statistics, bond order, MSD ...
- Visualization: measures, coordination polyhedras, advanced coloring, advanced design
- Edition: molecular library, crystal builder, cell edition, surface creation and passivation ...
- MD input preparation: Classical MD: DLPOLY and LAMMPS, ab-initio MD: CPMD and CP2K, QM-MM MD: CPMD and CP2K
Audience
Science/Research
User interface
GTK+
Programming Language
Fortran, C, GLSL (OpenGL Shading Language)
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/atomes/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
