Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
Candidate_v1.7.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
stable
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Last change
on this file since 70f2a1 was 220d2c, checked in by Frederik Heber <frederik.heber@…>, 9 years ago |
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TremoloParser::load() can deal with multiple time steps.
- TESTS: Added regression test case.
- ATOMDATA needs to be the same. Check by regression test case.
- TESTS: set to XFAIL for the moment due to missing save() implementation
for multiple time steps.
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-
Property mode
set to
100644
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File size:
249 bytes
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| Line | |
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| 1 | # ATOMDATA Id type x=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 0 0 0 2 3 0 0
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| 4 | 2 H 0.759 0 0.504 1 0 0 0
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| 5 | 3 H 0.759 0 -0.504 1 0 0 0
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| 6 | # ATOMDATA Id type x=3 neighbors=4
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| 7 | 1 O 0.001 0 0 2 3 0 0
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| 8 | 2 H 0.761 0 0.504 1 0 0 0
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| 9 | 3 H 0.761 0 -0.504 1 0 0 0
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