source: src/Shapes@ 52575c

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 125841   12 years FrederikHeber Made Sphere_impl::getHomogeneousPointsOnSurface() more accurate - …
BaseShapes.cpp 7.7 KB ​ 125841   12 years FrederikHeber Made Sphere_impl::getHomogeneousPointsOnSurface() more accurate - …
BaseShapes.hpp 463 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
BaseShapes_impl.hpp 1.7 KB ​ c67c65   13 years FrederikHeber Added preliminary getVolume() and getSurfaceArea() implementation to …
Makefile.am 2.8 KB ​ 7256a2   13 years FrederikHeber DISTFIX: Forgot to include various header files in Makefile.am's. - …
Shape.cpp 13.5 KB ​ da1e92   13 years FrederikHeber Shape::getVolume() and ::getSurfaceArea() use Approximators if …
Shape.hpp 1.5 KB ​ c67c65   13 years FrederikHeber Added preliminary getVolume() and getSurfaceArea() implementation to …
Shape_impl.hpp 6.2 KB ​ c67c65   13 years FrederikHeber Added preliminary getVolume() and getSurfaceArea() implementation to …
ShapeExceptions.hpp 921 bytes ​ e5c233   13 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
ShapeOps.cpp 8.4 KB ​ b98a32   13 years FrederikHeber FIX: Some fixes to Resize_Impl functions. - replaced 1/ by 1./. - …
ShapeOps.hpp 455 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ShapeOps_impl.hpp 3.6 KB ​ c48641   13 years FrederikHeber FIX: ShapeOps::getHomogenous...() were not working. - replaced …
ShapeType.hpp 387 bytes ​ b92e4a   13 years FrederikHeber Shape identify themselves via an enumerated Type. - this is required …
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