fix nl example (#136)

lab-cosmo · Jan 8, 2025 · b3310fb · b3310fb
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diff --git a/docs/src/references/changelog.rst b/docs/src/references/changelog.rst
@@ -27,6 +27,7 @@ changelog <https://keepachangelog.com/en/1.1.0/>`_ format. This project follows
 Fixed
 #####
 
+* Fix inconsistent ``cutoff`` in neighbor list example
 * All calculators now check if the cell is zero if the potential is range-separated
 
 

diff --git a/examples/2-neighbor-lists-usage.py b/examples/2-neighbor-lists-usage.py
@@ -224,7 +224,7 @@ def distances(
 #
 # and create new distances in a similar manner as above.
 
-nl = vesin.torch.NeighborList(cutoff=1.0, full_list=False)
+nl = vesin.torch.NeighborList(cutoff=cutoff, full_list=False)
 neighbor_indices_new, d = nl.compute(
     points=positions_new, box=cell, periodic=True, quantities="Pd"
 )
-Original file line number
+Diff line change
@@ Expand Up @@
     Fixed
     #####
+    * Fix inconsistent ``cutoff`` in neighbor list example
     * All calculators now check if the cell is zero if the potential is range-separated
@@ Expand Down @@