Changeset e51f2c

Timestamp:

Sep 14, 2016, 6:42:52 PM (8 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:

978234

Parents:

5b1e5e

git-author:

Frederik Heber <heber@…> (05/27/16 18:07:36)

git-committer:

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

Message:

Renamed SamplingGrid::getDiscreteWindowIndices() -> ::..WindowCopyIndies().

Location:

src

Files:

• Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) (3 diffs)
• Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) (1 diff)
• Potentials/PartialNucleiChargeFitter.cpp (modified) (1 diff)

src/Fragmentation/Summation/SetValues/SamplingGrid.cpp

@@ -426 +426 @@
 }
 
-void SamplingGrid::getDiscreteWindowIndices(
+void SamplingGrid::getDiscreteWindowCopyIndices(
     const double *larger_wbegin,
     const double *larger_wend,
@@ -459 +459 @@
     // total is used as safe-guard against loss due to discrete conversion
     ASSERT( pre_offset[index]+post_offset[index]+length[index] == total[index],
-        "SamplingGrid::getDiscreteWindowIndices() - pre, post, and length don't sum up to total for "
+        "SamplingGrid::getDiscreteWindowCopyIndices() - pre, post, and length don't sum up to total for "
         +toString(index)+"th component.");
   }
@@ -489 +489 @@
   size_t length[NDIM];
   size_t total[NDIM];
-  getDiscreteWindowIndices(
+  getDiscreteWindowCopyIndices(
       larger_wbegin, larger_wend,
       smaller_wbegin, smaller_wend,

src/Fragmentation/Summation/SetValues/SamplingGrid.hpp

@@ -227 +227 @@
    * \param total total number of points for checking, should be sum of other three
    */
-  void getDiscreteWindowIndices(
+  void getDiscreteWindowCopyIndices(
       const double *larger_wbegin,
       const double *larger_wend,

src/Potentials/PartialNucleiChargeFitter.cpp

@@ -86 +86 @@
   size_t length[3];
   size_t total[3];
-  grid.getDiscreteWindowIndices(
+  grid.getDiscreteWindowCopyIndices(
       grid.begin, grid.end,
       grid.begin_window, grid.end_window,