extract() implementation for dihedral cosine squared restricted

2025-04-07 09:11:42 +02:00
parent 27ac8c0ea1
commit 55964c1233
4 changed files with 23 additions and 6 deletions
--- a/unittest/force-styles/tests/dihedral-cosine_squared_restricted.yaml
+++ b/unittest/force-styles/tests/dihedral-cosine_squared_restricted.yaml
@ -16,7 +16,9 @@ dihedral_coeff: ! |
  3  15.0 -10.0
  4  12.0 0.0
  5  11.0 45.0
-extract: ! ""
+extract: ! |
+  k 1
+  phi0 1
 natoms: 29
 init_energy: 10643.96352037142
 init_stress: ! |2-