Move notebook to example

lab-cosmo · Dec 12, 2024 · fc6d681 · fc6d681
1 parent 710c43f
commit fc6d681
Show file tree

Hide file tree

Showing 3 changed files with 213 additions and 348 deletions.
diff --git a/examples/2-neighbor-lists-usage.py b/examples/2-neighbor-lists-usage.py
@@ -70,9 +70,7 @@
 # We now slightly displace the atoms from their initial positions randomly based on a
 # Gaussian distribution with a width of 0.1 Å to create non-zero forces.
 
-rng = np.random.default_rng(42)
-displacement = rng.normal(loc=0.0, scale=0.1, size=(len(atoms), 3))
-atoms.positions += displacement
+atoms.rattle(stdev=0.1)
 
 chemiscope.show(
     frames=[atoms],

diff --git a/examples/basic-usage-kevin.ipynb b/examples/basic-usage-kevin.ipynb