Changeset 5b1e5e for src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp

Timestamp:

Sep 14, 2016, 6:42:52 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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, 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, 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

Children:

e51f2c

Parents:

028790

git-author:

Frederik Heber <heber@…> (05/26/16 09:51:07)

git-committer:

Frederik Heber <heber@…> (09/14/16 18:42:52)

Message:

FIX: Replaced 3 by NDIM in SamplingGrid which avoids some confusion with numeric grid levels.

File:

• src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp (modified) (4 diffs)

src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp

@@ -17 +17 @@
 #include "boost/serialization/array.hpp"
 
+#include "LinearAlgebra/defs.hpp"
+
 #include "Fragmentation/Summation/ZeroInstance.hpp"
 
@@ -31 +33 @@
    */
   SamplingGridProperties(
-      const double _begin[3],
-      const double _end[3],
+      const double _begin[NDIM],
+      const double _end[NDIM],
       const int _level);
 
@@ -132 +134 @@
 public:
   //!> offset of grid
-  double begin[3];
+  double begin[NDIM];
   //!> size of grid, i.e. edge length per axis of domain
-  double end[3];
+  double end[NDIM];
   //!> level, i.e. \f$2^{\mathrm{level}}\f$ grid points per axis per unit(!) length
   int level;
@@ -146 +148 @@
   {
     int i;
-    for (i=0; i<3; ++i)
+    for (i=0; i<NDIM; ++i)
       ar & begin[i];
-    for (i=0; i<3; ++i)
+    for (i=0; i<NDIM; ++i)
       ar & end[i];
     ar & level;