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 | Official Debian packages exist. |
| Hardware Requirements | HPC, MPI, GPU | 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 | |
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Install: https://wiki.fysik.dtu.dk/ase/install.html Documentation: https://wiki.fysik.dtu.dk/ase/ase/ase.html |
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| Documentation / Tutorials | |
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Tutorials: https://wiki.fysik.dtu.dk/ase/tutorials/tutorials.html |
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| References | |
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Comput. Sci. Eng., Vol. 4, 56-66, 2002 S. R. Bahn and K. W. Jacobsen |
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| 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.
