Standard package for reading and writing atomic structures represented as an AtomsBase-compatible data structure. AtomsIO currently integrates with
and supports all file formats any of these packages support. Amongst others AtomsIO supports the following formats
- Crystallographic Information Framework (CIF) files
- Quantum Espresso / ABINIT / VASP input files
- ASE / Gromacs / LAMMPS / Amber trajectory files
- XYZ and extxyz files
- XCrySDen structure and trajectory files
For more details see the documentation.