source: src/Element@ 64cafb2

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fixes 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 IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation 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 SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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unittests c85c2e   9 years FrederikHeber FIX: Element's HBondDistance and HBondAngle were not initialized as …
element.cpp 5.3 KB ​ c85c2e   9 years FrederikHeber FIX: Element's HBondDistance and HBondAngle were not initialized as …
element.hpp 3.4 KB ​ 31bd9c   11 years FrederikHeber Added ion class, derived from element.
elements_db.cpp 13.6 KB ​ 3b1c36   9 years FrederikHeber Entered HBondDistance results from VSpeShape into elements_db. - we …
elements_db.hpp 462 bytes ​ 3bdb6d   13 years FrederikHeber Moved all stuff related to elements into own subfolder and has its own …
ion.cpp 3.3 KB ​ 31bd9c   11 years FrederikHeber Added ion class, derived from element.
ion.hpp 1.8 KB ​ 31bd9c   11 years FrederikHeber Added ion class, derived from element.
Makefile.am 2.7 KB ​ 31bd9c   11 years FrederikHeber Added ion class, derived from element.
periodentafel.cpp 21.9 KB ​ 37ef6d   11 years FrederikHeber Changed element class and periodentafel to have and use functions from …
periodentafel.hpp 3.0 KB ​ 37ef6d   11 years FrederikHeber Changed element class and periodentafel to have and use functions from …
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