Changeset ce5ac3 for src/vector.cpp

Timestamp:

Jul 23, 2009, 12:32:48 PM (16 years ago)

Author:

Frederik Heber <heber@…>

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, Candidate_v1.7.0, 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:

d067d45

Parents:

986c80

Message:

Fix indentation from tabs to two spaces to prepare merging with MultipleMolecules

File:

• src/vector.cpp (modified) (6 diffs)

src/vector.cpp

@@ -327 +327 @@
   }
   ost << ")";
-        return ost;
+  return ost;
 };
 
@@ -517 +517 @@
 bool Vector::MakeNormalVector(const Vector *y1)
 {
-        bool result = false;
+  bool result = false;
   Vector x1;
   x1.CopyVector(y1);
@@ -523 +523 @@
   SubtractVector(&x1);
   for (int i=NDIM;i--;)
-          result = result || (fabs(x[i]) > MYEPSILON);
+    result = result || (fabs(x[i]) > MYEPSILON);
 
   return result;
@@ -597 +597 @@
 bool Vector::LSQdistance(Vector **vectors, int num)
 {
-        int j;
-
-        for (j=0;j<num;j++) {
-                cout << Verbose(1) << j << "th atom's vector: ";
-                (vectors[j])->Output((ofstream *)&cout);
-                cout << endl;
-        }
+  int j;
+
+  for (j=0;j<num;j++) {
+    cout << Verbose(1) << j << "th atom's vector: ";
+    (vectors[j])->Output((ofstream *)&cout);
+    cout << endl;
+  }
 
   int np = 3;
-        struct LSQ_params par;
+  struct LSQ_params par;
 
    const gsl_multimin_fminimizer_type *T =
@@ -627 +627 @@
    /* Starting point */
    par.vectors = vectors;
-         par.num = num;
-
-         for (i=NDIM;i--;)
-                gsl_vector_set(y, i, (vectors[0]->x[i] - vectors[1]->x[i])/2.);
+   par.num = num;
+
+   for (i=NDIM;i--;)
+    gsl_vector_set(y, i, (vectors[0]->x[i] - vectors[1]->x[i])/2.);
 
    /* Initialize method and iterate */
@@ -671 +671 @@
    gsl_multimin_fminimizer_free (s);
 
-        return true;
+  return true;
 };