Changeset 37fe17 for tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics.at

Timestamp:

Apr 4, 2018, 4:59:24 PM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

167523

Parents:

7e4d0a6

git-author:

Frederik Heber <frederik.heber@…> (07/12/17 21:01:31)

git-committer:

Frederik Heber <frederik.heber@…> (04/04/18 16:59:24)

Message:

TESTS: Added MD tests on methane, ethane, and water-filled system.

File:

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

tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics.at

@@ -21 +21 @@
 m4_include([MolecularDynamics/testsuite-integration-moleculardynamics-water.at])
 
+# testing molecular dynamics simulation of methane
+m4_include([MolecularDynamics/testsuite-integration-moleculardynamics-methane.at])
+
+# testing molecular dynamics simulation of ethane
+m4_include([MolecularDynamics/testsuite-integration-moleculardynamics-ethane.at])
+
+# testing molecular dynamics simulation of water system
+m4_include([MolecularDynamics/testsuite-integration-moleculardynamics-water-system.at])
+