source: tests/regression/Molecules/VerletIntegration/pre/test.forces@ 3b74fa

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
Last change on this file since 3b74fa was 967b3c, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Molecules.

  • Property mode set to 100644
File size: 157 bytes
Line 
1#atom x y z
21 0.1 0.1 0.
32 0.1 0.1 0.
43 0.1 0.1 0.
54 0.1 0.1 0.
65 0.1 0.1 0.
76 0.1 0.1 0.
87 0.1 0.1 0.
98 0.1 0.1 0.
109 0.1 0.1 0.
1110 0.1 0.1 0.
1211 0.1 0.1 0.
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