extract() implementation for dihedral multi/harmonic

2025-04-07 09:30:44 +02:00
parent e956e5ccda
commit 7655a4cb84
4 changed files with 25 additions and 1 deletions
--- a/unittest/force-styles/tests/dihedral-multi_harmonic.yaml
+++ b/unittest/force-styles/tests/dihedral-multi_harmonic.yaml
@ -16,7 +16,12 @@ dihedral_coeff: ! |
  3  56 10 32 84 52
  4  23 80 61 83 74
  5  19 90 13 15 58
-extract: ! ""
+extract: ! |
+  a1 1
+  a2 1
+  a3 1
+  a4 1
+  a5 1
 natoms: 29
 init_energy: 2854.9857316566695
 init_stress: ! |2-