AtomsIO
| Documentation | Build status | License |
|---|---|---|
  |
  |
 |
Standard package for reading and writing atomic structures represented as an AtomsBase-compatible data structure. AtomsIO currently integrates with
- Chemfiles
- ExtXYZ
- XCrySDenStructureFormat
- ASEconvert (respectively ASE)
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.