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 41d023, checked in by Frederik Heber <heber@…>, 13 years ago |
|
Renamed SetMpqcParametersAction to SetParserParametersAction and generalized.
- now we may set the parameters of basically any parser, so far it's probably
just mpqc and pis3.
- changed operator<<(FormatParser_Parameters): no output when value is empty
string.
- changed operator>>(FormatParser_Parameters): Asserts were not really making
sure that value_iter and param_iter were readible.
- Added regression test on setting psi3 parameters (wfn).
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Property mode
set to
100644
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File size:
65 bytes
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| 1 | 1
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| 2 | Created by molecuilder on Tue Oct 6 18:34:23 2009
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| 3 | H 10 10 10
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