Changeset 1e6591 for tests/regression/Atoms

Timestamp:

Aug 13, 2025, 9:46:30 PM (2 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

9175c8

Parents:

463bfb

git-author:

Frederik Heber <frederik.heber@…> (08/13/25 21:30:50)

git-committer:

Frederik Heber <frederik.heber@…> (08/13/25 21:46:30)

Message:

FIX: Saturating nitrogen produces very slight changed coordinates.

File:

• tests/regression/Atoms/Saturate/post/saturated_nitrogen.xyz (modified) (1 diff)

tests/regression/Atoms/Saturate/post/saturated_nitrogen.xyz

@@ -3 +3 @@
 N       10      10      10
 H       11.0015 10      10
-H       9.49923 10.866  10
-H       9.49923 9.13397 10
+H       9.49923 10.8674 10
+H       9.49923 9.13264 10