Changeset 454d7a for tests/regression

Timestamp:

Aug 30, 2025, 2:41:40 PM (2 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

d56114

Parents:

a93896

git-author:

Frederik Heber <frederik.heber@…> (08/14/25 16:28:52)

git-committer:

Frederik Heber <frederik.heber@…> (08/30/25 14:41:40)

Message:

TESTFIX: adapts regression test on changed temperature units.

• This originates in 4b2207122 where we changed the unit in which we save the temperature and momentum.

File:

• tests/regression/Molecules/SaveEnergies/post/test.ekin (modified) (1 diff)

tests/regression/Molecules/SaveEnergies/post/test.ekin

@@ -1 +1 @@
 # Step  Temperature [K] Temperature [a.u.]      Momentum        Abolute Momentum        Force   Absolute Force
-0       139247  0.44097 4.4097  4.4097  0       0
-1       139247  0.44097 4.4097  4.4097  0       0
+0       10.6954 3.38705e-05     0.054655        0.054655        0       0
+1       10.6954 3.38705e-05     0.054655        0.054655        0       0
 2       0       0       0       0       0       0
 3       0       0       0       0       0       0