Changeset 97b825 for src/linkedcell.cpp
- Timestamp:
- Aug 7, 2010, 2:44:24 PM (14 years ago)
- Branches:
- 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
- Children:
- 458447
- Parents:
- 5b4605
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
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src/linkedcell.cpp
r5b4605 r97b825 21 21 /** Constructor for class LinkedCell. 22 22 */ 23 LinkedCell::LinkedCell() 24 { 25 LC = NULL; 23 LinkedCell::LinkedCell() : 24 LC(NULL), 25 index(-1), 26 RADIUS(0.) 27 { 26 28 for(int i=0;i<NDIM;i++) 27 29 N[i] = 0; 28 index = -1;29 RADIUS = 0.;30 30 max.Zero(); 31 31 min.Zero(); … … 36 36 * \param RADIUS edge length of cells 37 37 */ 38 LinkedCell::LinkedCell(const PointCloud * const set, const double radius) 38 LinkedCell::LinkedCell(const PointCloud * const set, const double radius) : 39 RADIUS(radius), 40 LC(NULL), 41 index(-1) 39 42 { 40 43 TesselPoint *Walker = NULL; 41 44 42 RADIUS = radius;43 LC = NULL;44 45 for(int i=0;i<NDIM;i++) 45 46 N[i] = 0; 46 index = -1;47 47 max.Zero(); 48 48 min.Zero(); … … 112 112 * \param RADIUS edge length of cells 113 113 */ 114 LinkedCell::LinkedCell(LinkedNodes *set, const double radius) 114 LinkedCell::LinkedCell(LinkedNodes *set, const double radius) : 115 RADIUS(radius), 116 LC(NULL), 117 index(-1) 115 118 { 116 119 class TesselPoint *Walker = NULL; 117 RADIUS = radius;118 LC = NULL;119 120 for(int i=0;i<NDIM;i++) 120 121 N[i] = 0; 121 index = -1;122 122 max.Zero(); 123 123 min.Zero();
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