source: tests/Calculations@ 2bb3be

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
atlocal.in 34 bytes ​ abfc95   10 years FrederikHeber Added test for mpqc and fragmentation calculations in target …
change.sh 2.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
Makefile.am 3.6 KB ​ 854a1e   8 years FrederikHeber Increased max_jobs to 8 for all testsuite's Makefiles.am. - running …
molecuilder.in 514 bytes ​ abfc95   10 years FrederikHeber Added test for mpqc and fragmentation calculations in target …
molecuilder_poolworker.in 325 bytes ​ 2945e6   8 years frederik.heber FIX: integration tests killed worker script not worker in error case. …
testsuite-calculations-1_2-dimethoxyethane.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-1_2-dimethylbenzene.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-2-methylcyclohexanone.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-anthracene.at 2.2 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-benzene.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-cholesterol.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-coronene.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-cycloheptane.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-dimethyl_bromomalonate.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-glucose.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-heptan.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-isoleucine.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-jobmarket-1_2-dimethoxyethane.at 3.4 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-1_2-dimethylbenzene.at 3.4 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-2-methylcyclohexanone.at 3.4 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-anthracene.at 3.8 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-benzene.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-cholesterol.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-coronene.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-cycloheptane.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-dimethyl_bromomalonate.at 3.4 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-glucose.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-heptan.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-isoleucine.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-mpqc.at 3.1 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-N_N-dimethylacetamide.at 3.4 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-naphthalene.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-neohexane.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-phenanthrene.at 3.6 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-proline.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-putrescine.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-jobmarket-tartaric_acid.at 3.3 KB ​ ae14a1   8 years frederik.heber Ports used by regression tests are now between 11024 and 19999. - …
testsuite-calculations-mpqc.at 1.5 KB ​ 605b92   10 years FrederikHeber TESTFIX: Output for target "extracheck" in logs is not helpful if just …
testsuite-calculations-N_N-dimethylacetamide.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-naphthalene.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-neohexane.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-phenanthrene.at 2.0 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-proline.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-putrescine.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-tartaric_acid.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite.at 2.3 KB ​ abfc95   10 years FrederikHeber Added test for mpqc and fragmentation calculations in target …
testsuite_jobmarket.at 2.4 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
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