Changeset 0990e1 for src

Timestamp:

Dec 10, 2012, 10:10:56 AM (12 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, 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:

758e56

Parents:

c44322

git-author:

Frederik Heber <heber@…> (08/27/12 21:31:26)

git-committer:

Frederik Heber <heber@…> (12/10/12 10:10:56)

Message:

FIX: MemDebug needs to come after VMG stuff, otherwise we run into trouble with invalid new/deletes.

Location:

src/Jobs

Files:

• InterfaceVMGJob.cpp (modified) (2 diffs)
• VMGJob.cpp (modified) (2 diffs)

src/Jobs/InterfaceVMGJob.cpp

@@ -35 +35 @@
 #include "mpi.h"
 #endif
-
-#include "CodePatterns/MemDebug.hpp"
-
-#include <cmath>
-#include <iostream>
-
-#include "CodePatterns/Log.hpp"
 
 #include "base/vector.hpp"
@@ -51 +44 @@
 
 #include "InterfaceVMGJob.hpp"
+
+#include "CodePatterns/MemDebug.hpp"
+
+#include <cmath>
+#include <iostream>
+
+#include "CodePatterns/Log.hpp"
+
 
 using namespace VMG;

src/Jobs/VMGJob.cpp

@@ -43 +43 @@
 #include <boost/archive/text_iarchive.hpp>
 
-#include "CodePatterns/MemDebug.hpp"
-
-#include "Jobs/VMGJob.hpp"
-
 #include "mg.hpp"
 #include "base/object.hpp"
@@ -68 +64 @@
 #include "solver/solver_singular.hpp"
 //#include "units/particle/comm_mpi_particle.hpp"
+
+#include "CodePatterns/MemDebug.hpp"
+
+#include "Jobs/VMGJob.hpp"
 
 #include "LinearAlgebra/defs.hpp"