source: src/Fragmentation/Summation/SetValues@ e0ae58d

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 76096d   11 years FrederikHeber FIX: Several fixes found through CppCheck. - strncpy does not always …
Eigenvalues.cpp 3.4 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
Eigenvalues.hpp 2.1 KB ​ eb32b6   12 years FrederikHeber Eigenvalue summation uses two sets: added and subtracted values. - …
Fragment.cpp 5.4 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
Fragment.hpp 4.1 KB ​ fbf143   12 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
Histogram.cpp 11.4 KB ​ 7d507c   11 years FrederikHeber FIX: Histogram::superposeOtherHistogram() could not deal with empty …
Histogram.hpp 6.1 KB ​ 5c867e   12 years FrederikHeber Added new SetValue Eigenvalues to just add up the set of eigenvalues. …
IndexedVectors.cpp 4.0 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
IndexedVectors.hpp 3.8 KB ​ e5ebaf   11 years FrederikHeber Forces obtained from fragmentation summation are now set. - i.e. they …
Makefile.am 3.7 KB ​ b5f548   11 years FrederikHeber FIX: Shifted all helper functions from SamplingGrid to ..Properties. …
SamplingGrid.cpp 22.4 KB ​ 3f64ee   11 years FrederikHeber Extracted SamplingGrid::getDiscreteWindowIndices() from …
SamplingGrid.hpp 12.7 KB ​ 3f64ee   11 years FrederikHeber Extracted SamplingGrid::getDiscreteWindowIndices() from …
SamplingGrid_inline.hpp 1.1 KB ​ b5f548   11 years FrederikHeber FIX: Shifted all helper functions from SamplingGrid to ..Properties. …
SamplingGridProperties.cpp 2.8 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
SamplingGridProperties.hpp 3.7 KB ​ b5f548   11 years FrederikHeber FIX: Shifted all helper functions from SamplingGrid to ..Properties. …
SamplingGridProperties_inline.hpp 1.1 KB ​ b5f548   11 years FrederikHeber FIX: Shifted all helper functions from SamplingGrid to ..Properties. …
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