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# ChangeLog for tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-methane.at
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# Generated by Trac 1.4.4
# Apr 1, 2025, 9:32:05 PM

Tue, 10 Apr 2018 06:42:56 GMT Frederik Heber <frederik.heber@…> [1e58bb]
	* tests/integration/FragmentJobs/testsuite-integration-fragmentjobs-mpqc-jobs.at (modified)
	* tests/integration/FragmentJobs/testsuite-integration-fragmentjobs-vmg-jobs.at (modified)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-ethane.at (modified)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-methane.at (modified)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water-system.at (modified)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water.at (modified)
	* tests/integration/PotentialFitting/testsuite-integration-potentialfitting-water.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-ethane.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-methane.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at (modified)
	* tests/integration/molecuilder_poolworker.in (modified)

	FIX: Integration tests now abort safely when one of the programs ...


Wed, 04 Apr 2018 16:59:24 GMT Frederik Heber <frederik.heber@…> [37fe17]
	* data/molecules/methane.pdb (added)
	* tests/integration/Makefile.am (modified)
	* tests/integration/MolecularDynamics/post/ethane.ekin (added)
	* tests/integration/MolecularDynamics/post/ethane_initial_steps.data (added)
	* tests/integration/MolecularDynamics/post/methane.ekin (added)
	* tests/integration/MolecularDynamics/post/methane_initial_steps.data (added)
	* tests/integration/MolecularDynamics/post/water-system.ekin (added)
	* tests/integration/MolecularDynamics/post/water-system_initial_steps.data (added)
	* tests/integration/MolecularDynamics/pre/ethane.pdb (added)
	* tests/integration/MolecularDynamics/pre/methane.pdb (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-ethane.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-methane.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water-system.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water.at (modified)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics.at (modified)

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