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
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
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 da7ef9 was d5b90b, checked in by Frederik Heber <heber@…>, 12 years ago |
|
FIX: XyzParser had lacking precision beyond coordinates of 100000.
- made the coordinates be written via a printCoordinate() function for
XyzParser, too. Beyond 1000 we write with fixed 3 digit precision.
- added regression test on printing coordinates with large components.
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-
Property mode
set to
100644
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File size:
140 bytes
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| Line | |
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| 1 | 4
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| 2 | # moleculder test for xyz with coordinates beyond 100000
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| 3 | H 0 0 101001.05
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| 4 | H 0 102001.05 0
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| 5 | H 100301.05 0 0
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|---|
| 6 | H 100301.05 102001.05 100001.05
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|---|
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