Changeset 63d2b8 for src

Timestamp:

Jun 26, 2010, 11:59:50 AM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

cadbc1

Parents:

d10eb6

Message:

Removed unused Vector::KeepPeriodic() method.

Location:

src

Files:

• vector.cpp (modified) (1 diff)
• vector.hpp (modified) (1 diff)

src/vector.cpp

@@ -174 +174 @@
 };
 
-/** Keeps the vector in a periodic cell, defined by the symmetric \a *matrix.
- * \param *out ofstream for debugging messages
- * Tries to translate a vector into each adjacent neighbouring cell.
- */
-void Vector::KeepPeriodic(const double * const _matrix)
-{
-  Matrix matrix = Matrix(_matrix);
-  //  int N[NDIM];
-  //  bool flag = false;
-    //vector Shifted, TranslationVector;
-  //  Log() << Verbose(1) << "Begin of KeepPeriodic." << endl;
-  //  Log() << Verbose(2) << "Vector is: ";
-  //  Output(out);
-  //  Log() << Verbose(0) << endl;
-    MatrixMultiplication(matrix.invert());
-    for(int i=NDIM;i--;) { // correct periodically
-      if (at(i) < 0) {  // get every coefficient into the interval [0,1)
-        at(i) += ceil(at(i));
-      } else {
-        at(i) -= floor(at(i));
-      }
-    }
-    MatrixMultiplication(matrix);
-  //  Log() << Verbose(2) << "New corrected vector is: ";
-  //  Output(out);
-  //  Log() << Verbose(0) << endl;
-  //  Log() << Verbose(1) << "End of KeepPeriodic." << endl;
-};
-
 /** Calculates scalar product between this and another vector.
  * \param *y array to second vector

src/vector.hpp

@@ -61 +61 @@
   void Scale(const double factor);
   void MatrixMultiplication(const Matrix &M);
-  void KeepPeriodic(const double * const matrix);
   bool GetOneNormalVector(const Vector &x1);
   bool MakeNormalTo(const Vector &y1);