Changeset d40189 for tests/Python/AllActions/missing.dat

Timestamp:

Apr 23, 2021, 8:31:23 PM (5 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

61cc0f

Parents:

cbbb6a

git-author:

Frederik Heber <frederik.heber@…> (04/28/19 22:01:20)

git-committer:

Frederik Heber <frederik.heber@…> (04/23/21 20:31:23)

Message:

OutputTemperature -> OutputEnergies, SaveTemperature -> SaveEnergies.

• added force and momentum calculation.
• TESTS: adapted test.ekin test file and integration/MolecularDynamics tests.
• DOCU: Adapted userguide for changed action.

File:

• tests/Python/AllActions/missing.dat (modified) (1 diff)

tests/Python/AllActions/missing.dat

@@ -51 +51 @@
 save-adjacency
 save-bonds
+save-energies
 save-selected-molecules
-save-temperature
 suspend-in-water
 verlet-integration