Changeset 3bd4a66 for tests/integration/testsuite-integration.at

Timestamp:

Jul 17, 2017, 12:28:51 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults

Children:

b93bc5

Parents:

bf87c2

git-author:

Frederik Heber <frederik.heber@…> (07/06/17 22:23:34)

git-committer:

Frederik Heber <frederik.heber@…> (07/17/17 12:28:51)

Message:

Added integration test molecular dynamics of a water molecule.

• we test for forces (actually full state) in first two steps and the overall temperature profile.

File:

• tests/integration/testsuite-integration.at (modified) (1 diff)

tests/integration/testsuite-integration.at

@@ -20 +20 @@
 # check integration of fragment jobs energy calculation
 m4_include([FragmentJobs/testsuite-integration-fragmentjobs.at])
+
+# check integration of molecular dynamics
+m4_include([MolecularDynamics/testsuite-integration-moleculardynamics.at])