source: tests/regression/Atoms/Add/post/test.data@ 987145

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps stable
Last change on this file since 987145 was e6e4a0, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: TremoloParser did not treat key F properly in saveLine() and readAtomDataLine().

  • did not write/load all three components.
  • TESTFIX: ParserTremoloUnitTest due to key F changes.
  • TESTFIX: regression tests Atoms/Add and Parser/Tremolo and Tremolo-Potentials neded their .data files adapted (F was so far stored with just one component and not three).
  • Property mode set to 100644
File size: 221 bytes
RevLine 
[305e7e]1# ATOMDATA Charge F GroupMeasureTypeNo GrpTypeNo Id chainID charge extType imprData name neighbors occupancy resName resSeq segID stress tempFactor torsion type u x
[e6e4a0]20 0 0 0 0 0 1 0 0 - - - 0 - 0 0 0 0 - H 0 0 0 10 10 10
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