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Package atomes

An atomistic toolbox


Atomes: a toolbox to analyze, to visualize
and to create/edit three-dimensional atomistic models.
It offers a workspace that allows to have many projects opened simultaneously.
The different projects in the workspace can exchange data:
analysis results, atomic coordinates...
Atomes also provides an advanced input preparation system
for further calculations using well known molecular dynamics codes:

    Classical MD: DLPOLY and LAMMPS
    ab-initio MD: CPMD and CP2K
    QM-MM MD: CPMD and CP2K

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.

Version: 1.1.14

General Commands

atomes a toolbox to analyze, visualize and create/edit 3D atomistic models