Metadata-Version: 2.1
Name: Crystally
Version: 0.5.3
Summary: Python module to model and analyze crystal structures
Home-page: https://git.rwth-aachen.de/john.arnold/Crystally.git
Author: John Arnold
Author-email: arnold@pc.rwth-aachen.de
License: None
Project-URL: Documentation, https://crystally.readthedocs.io/
Platform: UNKNOWN
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE.md

# crystally

**crystally** is a python library to analyze and manipulate crystal structures. It is intended to be easy to learn and
understand. Have a look at the documentation to get started and an idea of the capabilities of the module.

Documentation: https://crystally.readthedocs.io/en/latest/

Examples:
```python
import crystally as cr

# load an example lattice
ceria = cr.examples.ceria() 

#c alculate the distance between the first two atoms in the lattice
ceria.distance(ceria[0], ceria[1]) 

# find all atoms around the first with a maximum distance of 3 angstrom
ceria.get_in_radius(ceria[0], 3) 

# change the position of the first atom to new fractional coordinates
ceria[0].position = [0, 0.1, 0] 
```

