Replaces GUI-based atomic modelers with a command-line tool for creating and transforming large-scale atomic systems. Supports over 20 file formats and complex geometric transformations like dislocations and grain boundaries.
Tech Stack
FortranChemistry & Materials
Why atomsk?
• Extremely fast execution
• Broad format compatibility
• Powerful defect creation
Limitations
• No visual feedback
• Fortran-based build
• Command syntax learning
2/24/2026
Last Update
78
Forks
2
Issues
GPL-3.0
License
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