source: tests/integration/StructureOptimization@ e72d94

Candidate_v1.6.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph_contraction-expansion
Name Size Rev Age Author Last Change
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pre 167523   7 years frederik.heber Added integration tests on Structure Optimization. - we use the same …
testsuite-integration-structureoptimization-ethane.at 3.9 KB ​ 6a5921   7 years frederik.heber TESTS: Deactivated temporarily all tests related to bond graph …
testsuite-integration-structureoptimization-methane.at 3.9 KB ​ e72d94   7 years frederik.heber TESTFIX: threshold check in integration tests on structure …
testsuite-integration-structureoptimization-water.at 3.9 KB ​ e72d94   7 years frederik.heber TESTFIX: threshold check in integration tests on structure …
testsuite-integration-structureoptimization.at 1.2 KB ​ 167523   7 years frederik.heber Added integration tests on Structure Optimization. - we use the same …
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