source: tests/regression/Parser/Psi3/pre@ d24ef58

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
empty.psi 0 bytes ​ 752bb4   13 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
test.xyz 65 bytes ​ 752bb4   13 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
testrhf.psi 205 bytes ​ 752bb4   13 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
testrohf.psi 206 bytes ​ 752bb4   13 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
testtwocon.psi 323 bytes ​ 7ace68   12 years FrederikHeber Added multiplicity guesser for Psi3Parser's UHF. - TESTFIX: changed …
testuhf.psi 226 bytes ​ 7ace68   12 years FrederikHeber Added multiplicity guesser for Psi3Parser's UHF. - TESTFIX: changed …
water.psi 271 bytes ​ c0e28c   13 years FrederikHeber FIX: One could not load another pdb file due to local ids messing up. …
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