Changeset 4bc75d
- Timestamp:
- Oct 29, 2012, 9:09:56 AM (12 years ago)
- 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:
- 146c26d
- Parents:
- a9558f
- git-author:
- Frederik Heber <heber@…> (07/13/12 10:45:14)
- git-committer:
- Frederik Heber <heber@…> (10/29/12 09:09:56)
- Location:
- src
- Files:
-
- 6 edited
- 2 moved
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/FragmentationAction/FragmentationAutomationAction.cpp
ra9558f r4bc75d 52 52 #include "Graph/DepthFirstSearchAnalysis.hpp" 53 53 #include "Jobs/MPQCJob.hpp" 54 #include "Jobs/MPQC CommandJob_MPQCData.hpp"54 #include "Jobs/MPQCData.hpp" 55 55 #include "molecule.hpp" 56 56 #include "World.hpp" -
src/Jobs/MPQCCommandJob.hpp
ra9558f r4bc75d 21 21 #include "JobMarket/Jobs/SystemCommandJob.hpp" 22 22 23 #include "Jobs/MPQC CommandJob_MPQCData.hpp"23 #include "Jobs/MPQCData.hpp" 24 24 25 25 class MPQCCommandJobTest; -
src/Jobs/MPQCData.cpp
ra9558f r4bc75d 35 35 #include "CodePatterns/MemDebug.hpp" 36 36 37 #include "MPQC CommandJob_MPQCData.hpp"37 #include "MPQCData.hpp" 38 38 39 39 #include <iostream> -
src/Jobs/MPQCData.hpp
ra9558f r4bc75d 1 1 /* 2 * MPQC CommandJob_MPQCData.hpp2 * MPQCData.hpp 3 3 * 4 4 * Created on: Feb 08, 2012 … … 6 6 */ 7 7 8 #ifndef MPQC COMMANDJOB_MPQCDATA_HPP_9 #define MPQC COMMANDJOB_MPQCDATA_HPP_8 #ifndef MPQCDATA_HPP_ 9 #define MPQCDATA_HPP_ 10 10 11 11 // include config.h … … 97 97 std::ostream & operator<<(std::ostream &ost, const MPQCData &data); 98 98 99 #endif /* MPQC COMMANDJOB_MPQCDATA_HPP_ */99 #endif /* MPQCDATA_HPP_ */ -
src/Jobs/MPQCJob.cpp
ra9558f r4bc75d 41 41 #include "CodePatterns/MemDebug.hpp" 42 42 43 #include " Jobs/MPQCJob.hpp"44 #include "Jobs/MPQC CommandJob_MPQCData.hpp"43 #include "MPQCJob.hpp" 44 #include "Jobs/MPQCData.hpp" 45 45 46 46 #include <sstream> -
src/Jobs/Makefile.am
ra9558f r4bc75d 4 4 JOBSSOURCE = \ 5 5 Jobs/MPQCCommandJob.cpp \ 6 Jobs/MPQC CommandJob_MPQCData.cpp \6 Jobs/MPQCData.cpp \ 7 7 Jobs/MPQCJob.cpp 8 8 9 9 JOBSHEADER = \ 10 10 Jobs/MPQCCommandJob.hpp \ 11 Jobs/MPQC CommandJob_MPQCData.hpp \11 Jobs/MPQCData.hpp \ 12 12 Jobs/MPQCJob.hpp 13 13 -
src/Jobs/unittests/MPQCDataUnitTest.cpp
ra9558f r4bc75d 46 46 #include "MPQCDataUnitTest.hpp" 47 47 48 #include "Jobs/MPQC CommandJob_MPQCData.hpp"48 #include "Jobs/MPQCData.hpp" 49 49 50 50 #include "CodePatterns/Assert.hpp" -
src/controller_MPQCCommandJob.cpp
ra9558f r4bc75d 66 66 67 67 #include "Jobs/MPQCCommandJob.hpp" 68 #include "Jobs/MPQC CommandJob_MPQCData.hpp"68 #include "Jobs/MPQCData.hpp" 69 69 70 70 #include "LinearAlgebra/defs.hpp"
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