Skip to content

Commit

Permalink
Update intro.md
Browse files Browse the repository at this point in the history
  • Loading branch information
Andrew-S-Rosen authored Jan 14, 2024
1 parent aa34d89 commit 7b44ae7
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion docs/intro.md
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ from ase.io import read
from raspa_ase import Raspa

atoms = read("my_framework.cif")
atoms.calc = Raspa()
atoms.calc = Raspa(boxes=..., components=..., parameters=...)
atoms.get_potential_energy()
print(calc.results)
```
Expand Down

0 comments on commit 7b44ae7

Please sign in to comment.