source: tests/Examples@ bd19c1

Candidate_v1.6.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph_contraction-expansion
Name Size Rev Age Author Last Change
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ManyWaysTranslateAtom 92d0e6   7 years frederik.heber ManyWaysToTranslateAtom: Added stretch-bond test.
PartialChargeFitting ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
Simple ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
atlocal.in 34 bytes 8e0112   8 years FrederikHeber Added missing atlocal.in and molecuilder.in in tests Examples and …
Makefile.am 1.6 KB f56e14   7 years frederik.heber Added Examples testcase for the many ways to translate an atom blog entry.
molecuilder.in 514 bytes 8e0112   8 years FrederikHeber Added missing atlocal.in and molecuilder.in in tests Examples and …
molecuilder_poolworker.in 325 bytes 2945e6   8 years frederik.heber FIX: integration tests killed worker script not worker in error case. …
testsuite-examples.at 1.1 KB f56e14   7 years frederik.heber Added Examples testcase for the many ways to translate an atom blog entry.
testsuite.at 1.2 KB 4464ef   8 years FrederikHeber Added Examples tests that integrate the full fragment automation pipeline.
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