source: src/Fragmentation/Summation/Containers@ 854a1e

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
unittests 53ef0d4   9 years FrederikHeber FIX: Missing CodePatterns_LDFLAGS or AM_LDFLAGS or missing boost …
VMGDataMap.hpp 3.3 KB ​ ff347f   10 years FrederikHeber Added gathering of full and longrange forces into extra file. - added …
VMGDataFused.hpp 1.1 KB ​ ff347f   10 years FrederikHeber Added gathering of full and longrange forces into extra file. - added …
VMGData_printKeyNames.hpp 2.6 KB ​ ff347f   10 years FrederikHeber Added gathering of full and longrange forces into extra file. - added …
VMGData.hpp 2.0 KB ​ 7debff   10 years FrederikHeber VMGData additionally stores absolute residual. - we check for …
VMGData.cpp 2.0 KB ​ 7debff   10 years FrederikHeber VMGData additionally stores absolute residual. - we check for …
MPQCDataMap.hpp 4.4 KB ​ 5c867e   13 years FrederikHeber Added new SetValue Eigenvalues to just add up the set of eigenvalues. …
MPQCDataFused.hpp 1.3 KB ​ 94db13   10 years FrederikHeber Again changes to obtain correct longrange forces, also forces are …
MPQCData_printKeyNames.hpp 2.6 KB ​ a3fc46   13 years FrederikHeber FIX: Fixed printKeyName inclusions a bit. - they are now inline functions.
MPQCData.hpp 4.4 KB ​ 6829d2   9 years FrederikHeber MPQCData additionally stores the atomic number per nuclei. - in case …
MPQCData.cpp 5.2 KB ​ 6829d2   9 years FrederikHeber MPQCData additionally stores the atomic number per nuclei. - in case …
Makefile.am 4.5 KB ​ 11edf0   10 years FrederikHeber Added GridDownsampler as static functor. - extracted function from …
GridDownsampler.hpp 723 bytes ​ 11edf0   10 years FrederikHeber Added GridDownsampler as static functor. - extracted function from …
GridDownsampler.cpp 1.8 KB ​ 11edf0   10 years FrederikHeber Added GridDownsampler as static functor. - extracted function from …
FragmentationShortRangeResults.hpp 4.3 KB ​ ea63cb   9 years FrederikHeber Edges per Fragment passed on to FragmentationShortRangeResults. - in …
FragmentationShortRangeResults.cpp 5.8 KB ​ ea63cb   9 years FrederikHeber Edges per Fragment passed on to FragmentationShortRangeResults. - in …
FragmentationResultContainer.hpp 6.7 KB ​ ea63cb   9 years FrederikHeber Edges per Fragment passed on to FragmentationShortRangeResults. - in …
FragmentationResultContainer.cpp 5.3 KB ​ ea63cb   9 years FrederikHeber Edges per Fragment passed on to FragmentationShortRangeResults. - in …
FragmentationLongRangeResults.hpp 5.3 KB ​ 45f4b6b   10 years FrederikHeber FragmentationLongRangeResults requires additional zeroinstance in …
FragmentationLongRangeResults.cpp 14.5 KB ​ 45f4b6b   10 years FrederikHeber FragmentationLongRangeResults requires additional zeroinstance in …
FragmentationChargeDensity.hpp 2.3 KB ​ ebadb4   10 years FrederikHeber FragmentationChargeDensity requires additional zeroinstance in cstor.
FragmentationChargeDensity.cpp 3.5 KB ​ ebadb4   10 years FrederikHeber FragmentationChargeDensity requires additional zeroinstance in cstor.
extractJobIds.hpp 795 bytes ​ fbf143   13 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
createMatrixNrLookup.hpp 751 bytes ​ e0ae58d   12 years FrederikHeber createMatrixNrLookup now requires a ValueMask. - adapted all …
createMatrixNrLookup.cpp 2.5 KB ​ e0ae58d   12 years FrederikHeber createMatrixNrLookup now requires a ValueMask. - adapted all …
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