Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
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
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 3f6aac was e6e4a0, checked in by Frederik Heber <heber@…>, 12 years ago |
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FIX: TremoloParser did not treat key F properly in saveLine() and readAtomDataLine().
- did not write/load all three components.
- TESTFIX: ParserTremoloUnitTest due to key F changes.
- TESTFIX: regression tests Atoms/Add and Parser/Tremolo and Tremolo-Potentials
neded their .data files adapted (F was so far stored with just one component
and not three).
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-
Property mode
set to
100644
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File size:
221 bytes
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| Line | |
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| 1 | # ATOMDATA Charge F GroupMeasureTypeNo GrpTypeNo Id chainID charge extType imprData name neighbors occupancy resName resSeq segID stress tempFactor torsion type u x
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| 2 | 0 0 0 0 0 0 1 0 0 - - - 0 - 0 0 0 0 - H 0 0 0 10 10 10
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