Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
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
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Last change
on this file since d24ef58 was 305e7e, checked in by Frederik Heber <heber@…>, 14 years ago |
|
FIX: Type is actually spelled type with TREMOLO.
- corrected in TremoloParser.
- TESTFIX: the following tests has to be changed accordingly:
|
-
Property mode
set to
100644
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File size:
544 bytes
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| Line | |
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| 1 | # ATOMDATA Id name type x=3
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| 2 | 1 Ar1 Ar 4.72977074 8. 8.
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| 3 | ###2 3 4 5
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|---|
| 4 | ###2 HN1 H 6.4595415 5 5 1 0 0 0
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|---|
| 5 | ###3 HN1 H 5 6.4595415 5 1 0 0 0
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|---|
| 6 | ###4 HN1 H 5 5 6.4595415 1 0 0 0
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|---|
| 7 | ###5 HN1 H 6.4595415 6.4595415 6.4595415 1 0 0 0
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|---|
| 8 |
|
|---|
| 9 | 2 Ar2 Ar 7.3 8. 8.
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|---|
| 10 | ###7 8 9 0
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|---|
| 11 | ###7 ON2 OT 9.028 8. 8. 6 0 0 0
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|---|
| 12 | ###8 ON2 OT 7.486 7.1097259 8. 6 0 0 0
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|---|
| 13 | ###9 ON2 OT 7.486 8.8902741 8. 6 0 0 0
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|---|
| 14 |
|
|---|
| 15 |
|
|---|
| 16 | ###6 N2 NT 9. 9. 9. 7 8 9 0
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|---|
| 17 | ###7 ON2 OT 10.228 9. 9. 6 0 0 0
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|---|
| 18 | ###8 ON2 OT 8.486 9.8902741 9. 6 0 0 0
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|---|
| 19 | ###9 ON2 OT 8.486 8.1097259 9. 6 0 0 0
|
|---|
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