source: src/Fragmentation/Summation/Containers@ d24750

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_ParseParticles 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 JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
unittests 748fc7   12 years FrederikHeber libMolecuilder is now a shared library. - linking error …
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 4.3 KB ​ 2ebfd7   10 years FrederikHeber MPQCData::assignWithDownsampledGrid() uses downsample(). - in order …
MPQCData.cpp 5.2 KB ​ 2ebfd7   10 years FrederikHeber MPQCData::assignWithDownsampledGrid() uses downsample(). - in order …
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 3.9 KB ​ d76d65   12 years FrederikHeber FIX: MPQCDataFragmentMap_t can be summed up in …
FragmentationShortRangeResults.cpp 5.7 KB ​ 409a05   10 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
FragmentationResultContainer.hpp 6.0 KB ​ f83e26   10 years FrederikHeber FIX: FragmentationResultContainer did not clear cycles on clear().
FragmentationResultContainer.cpp 4.4 KB ​ f83e26   10 years FrederikHeber FIX: FragmentationResultContainer did not clear cycles on clear().
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 …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.