source: tests/regression/Parser/Tremolo-SetAtomdata/pre/argon.data@ b5bdb9

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 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
Last change on this file since b5bdb9 was 81c980b, checked in by Frederik Heber <heber@…>, 14 years ago

Added new action to set the ATOMDATA in tremolo's .data output file.

  • new action is set-tremolo-atomdata in ParserAction.
  • added regression test.
  • Property mode set to 100644
File size: 78 bytes
Line 
1# ATOMDATA Id name type x=3
21 Ar1 Ar 4.72977074 8. 8.
32 Ar2 Ar 7.3 8. 8.
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