Package atomes
An atomistic toolbox
atomes: a toolbox to analyze, to visualize and to create/edit 3D atomic scale models.
The software interface offers a workspace that allows to open many projects 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: 1.3.1
General Commands | |
| atomes | a toolbox to analyze, visualize and create/edit 3D atomic scale models |