Atomic Simulation Environment (ASE)


The Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.

Website https://wiki.fysik.dtu.dk/ase/
Licenses GNU Lesser General Public License 3.0
Categories Sample simulation Spectroscopies DFT/HFT Crystallography
Software Requirements -
Hardware Requirements -
Platforms Mac OS Linux Windows
Languages Python
Input Formats PDB CIF JSON MOL SDF XYZ
Output Formats PDB CIF EPS HTML JSON MOL PNG POV X3D XYZ
Contact email ase-users@listserv.fysik.dtu.dk
How-to

Install: https://wiki.fysik.dtu.dk/ase/install.html Documentation: https://wiki.fysik.dtu.dk/ase/ase/ase.html

Documentation / Tutorials

Tutorials: https://wiki.fysik.dtu.dk/ase/tutorials/tutorials.html

References

Comput. Sci. Eng., Vol. 4, 56-66, 2002 S. R. Bahn and K. W. Jacobsen

Instruments This software is not associated to any instruments.
No screenshots have been uploaded for this software.
This software is used at these institutes
No example datasets have been uploaded for this software.