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 ccb487, checked in by Frederik Heber <heber@…>, 13 years ago |
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TremoloParser now always writes current domain as "# Box ..." into file.
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-
Property mode
set to
100644
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File size:
463 bytes
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| Line | |
|---|
| 1 | # ATOMDATA Id type x=3 u=3 neighbors=4
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| 2 | # Box 20 0 0 0 20 0 0 0 20
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| 3 | 1 O 7.36404 5 5.01 0 0 0 4 0 0 0
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| 4 | 2 OS 5.50419 6.07129 5 0 0 0 4 5 0 0
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|---|
| 5 | 3 OS 5.50419 3.92871 5.01 0 0 0 4 6 0 0
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|---|
| 6 | 4 C 6.13037 5 5 0 0 0 1 2 3 0
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|---|
| 7 | 5 CT 4.12159 5.74744 5.01 0 0 0 2 6 7 8
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|---|
| 8 | 6 CT 4.12159 4.25256 5 0 0 0 3 5 9 10
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|---|
| 9 | 7 H1 3.52075 6.15873 5.8045 0 0 0 5 0 0 0
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| 10 | 8 H1 3.52075 6.15873 4.1955 0 0 0 5 0 0 0
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|---|
| 11 | 9 H1 3.52075 3.84127 5.8045 0 0 0 6 0 0 0
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|---|
| 12 | 10 H1 3.52075 3.84127 4.1955 0 0 0 6 0 0 0
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|---|
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