source: src/LinkedCell@ 25aa5a

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing 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_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
unittests 25aa5a   10 years FrederikHeber FIX: Box::setM() did not use const ref as argument.
IPointCloud.hpp 670 bytes ​ 53c7fc   13 years FrederikHeber Moved linkedcell.[ch]pp and related files to folder src/LinkedCell. - …
LinkedCell.cpp 2.3 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
linkedcell.cpp 12.2 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
LinkedCell.hpp 967 bytes ​ 4459fc   13 years FrederikHeber Refactored typedef tripleIndex into own structure. - we need the …
linkedcell.hpp 2.7 KB ​ 6bd7e0   13 years FrederikHeber Renamed old LinkedCell class to LinkedCell_deprecated. - this is …
LinkedCell_Controller.cpp 15.9 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
LinkedCell_Controller.hpp 2.4 KB ​ 1d2d01e   12 years FrederikHeber Fixing minimum sensible length for LinkedCell_Controller. - we did …
LinkedCell_Model.cpp 20.2 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
LinkedCell_Model.hpp 4.7 KB ​ cbcda6   13 years FrederikHeber BUGFIX: LinkedCell_View::getPointsInsideSphere() did not adhere to …
LinkedCell_Model_changeModel.cpp 3.2 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
LinkedCell_Model_changeModel.hpp 1.4 KB ​ 54f3d1   13 years FrederikHeber Removed short-wiring of updates as they are now passed through …
LinkedCell_Model_inline.hpp 1.1 KB ​ 8c31865   13 years FrederikHeber Added new class LinkedCellArrayCache that performs the lazy updates on …
LinkedCell_Model_LinkedCellArrayCache.cpp 2.3 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
LinkedCell_Model_LinkedCellArrayCache.hpp 1.8 KB ​ 54f3d1   13 years FrederikHeber Removed short-wiring of updates as they are now passed through …
LinkedCell_Model_Update.cpp 1.8 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
LinkedCell_Model_Update.hpp 1.3 KB ​ e776dc   13 years FrederikHeber Added internal classes Update and changeModel to LinkedCell_Model. - …
LinkedCell_View.cpp 5.2 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
LinkedCell_View.hpp 1.8 KB ​ 69459d   13 years FrederikHeber Added unit test on changing box to LinkedCell_ControllerUnitTest. - …
LinkedCell_View_ModelWrapper.hpp 998 bytes ​ cbdcb1   13 years FrederikHeber Added LinkedCell_View_ModelWrapper to safely keep LinkedCell_Model out …
Makefile.am 3.4 KB ​ 214240   12 years FrederikHeber FIX: Most of the includedirs were wrongly set. - each just needs to …
PointCloudAdaptor.hpp 2.0 KB ​ 6f0841   13 years FrederikHeber Shifted all modules related to atoms into own subfolder src/Atom/ - …
tripleIndex.cpp 1.6 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
tripleIndex.hpp 616 bytes ​ 4459fc   13 years FrederikHeber Refactored typedef tripleIndex into own structure. - we need the …
types.hpp 748 bytes ​ fbbcde   13 years FrederikHeber FIX: TestRunner is now compiled based on AM_CONDITIONAL set by HAVE_ECUT.
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