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
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Last change
on this file since 2eded3e was 3b1c36, checked in by Frederik Heber <heber@…>, 9 years ago |
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Entered HBondDistance results from VSpeShape into elements_db.
- we now have single bond distances for all elements from 1 to 37. They are
mostly consistent with the old values (but some are not, e.g. for element no
20, but they look like copied).
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-
Property mode
set to
100644
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File size:
135 bytes
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| 1 | 4
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| 2 | Created by molecuilder on Wed Sep 30 19:50:40 2015, time step 0
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| 3 | N 10 10 10
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| 4 | H 11.0015 10 10
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| 5 | H 9.49923 10.866 10
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| 6 | H 9.49923 9.13397 10
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