source: tests/regression/Molecules/StretchBond/post/ethane.xyz@ 8c6b68

AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 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 stable
Last change on this file since 8c6b68 was 3a51bd, checked in by Frederik Heber <heber@…>, 13 years ago

Added new StretchBondAction to stretch the bond within a molecule.

  • also added regression test with undo and redo on this.
  • Property mode set to 100644
File size: 243 bytes
RevLine 
[3a51bd]18
2 Created by molecuilder on Wed Sep 26 14:21:04 2012, time step 0
3C 9.80813 10.1357 10
4C 11.4411 8.98091 10
5H 9.80813 10.765 9.11
6H 9.80813 10.765 10.89
7H 11.4411 8.35161 9.11
8H 11.4411 8.35161 10.89
9H 8.91815 9.50637 10
10H 12.3312 9.61026 10
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