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# ChangeLog for tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at
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# Generated by Trac 1.4.4
# Apr 3, 2025, 10:05:32 PM

Wed, 20 Jun 2018 08:20:42 GMT Frederik Heber <frederik.heber@…> [6a5921]
	* tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.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: Deactivated temporarily all tests related to bond graph ...


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 16:59:36 GMT Frederik Heber <frederik.heber@…> [167523]
	* tests/integration/Makefile.am (modified)
	* tests/integration/StructureOptimization/pre/ethane.pdb (added)
	* tests/integration/StructureOptimization/pre/methane.pdb (added)
	* tests/integration/StructureOptimization/pre/water.pdb (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-ethane.at (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-methane.at (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization.at (added)
	* tests/integration/testsuite-integration.at (modified)

	Added integration tests on Structure Optimization.

	- we use the ...