- Timestamp:
- Jul 2, 2010, 1:19:32 PM (15 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:
- ce3d2b
- Parents:
- 36166d
- Location:
- src
- Files:
-
- 30 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/ActionRegistry.hpp
r36166d r986ed3 9 9 #define ACTIONREGISTRY_HPP_ 10 10 11 #include <ios tream>11 #include <iosfwd> 12 12 #include <string> 13 13 #include <map> -
src/Actions/AtomsCalculation_impl.hpp
r36166d r986ed3 11 11 #include "Actions/AtomsCalculation.hpp" 12 12 #include "Actions/Calculation_impl.hpp" 13 14 #include <iostream>15 13 16 14 using namespace std; -
src/Actions/MapOfActions.cpp
r36166d r986ed3 17 17 #include <boost/optional.hpp> 18 18 #include <boost/program_options.hpp> 19 20 #include <iostream> 19 21 20 22 #include "CommandLineParser.hpp" -
src/ConfigFileBuffer.hpp
r36166d r986ed3 17 17 #endif 18 18 19 #include <ios tream>19 #include <iosfwd> 20 20 21 21 /****************************************** forward declarations *****************************/ -
src/Exceptions/CustomException.hpp
r36166d r986ed3 10 10 11 11 #include <exception> 12 #include <iostream> 12 #include <iosfwd> 13 #include <string> 13 14 14 15 /** -
src/Helpers/Assert.hpp
r36166d r986ed3 11 11 #include<sstream> 12 12 #include<string> 13 #include<ios tream>13 #include<iosfwd> 14 14 #include<vector> 15 15 #include<map> -
src/Matrix.hpp
r36166d r986ed3 10 10 11 11 #include <gsl/gsl_matrix.h> 12 #include <ios tream>12 #include <iosfwd> 13 13 #include "defs.hpp" 14 14 -
src/Parser/MpqcParser.hpp
r36166d r986ed3 11 11 #include "FormatParser.hpp" 12 12 13 #include <ios tream>13 #include <iosfwd> 14 14 15 15 /** -
src/Parser/PcpParser.hpp
r36166d r986ed3 9 9 #define PCPPARSER_HPP_ 10 10 11 #include <ios tream>11 #include <iosfwd> 12 12 #include "Parser/FormatParser.hpp" 13 13 -
src/Patterns/Cacheable.hpp
r36166d r986ed3 12 12 #include <boost/function.hpp> 13 13 #include <boost/shared_ptr.hpp> 14 #include <iostream>15 14 16 15 #include "Helpers/Assert.hpp" -
src/Plane.hpp
r36166d r986ed3 11 11 #include <memory> 12 12 #include <vector> 13 #include <ios tream>13 #include <iosfwd> 14 14 #include "Space.hpp" 15 15 #include "Exceptions/LinearDependenceException.hpp" -
src/UIElements/Views/StreamStringView.hpp
r36166d r986ed3 10 10 11 11 #include <boost/function.hpp> 12 #include <ios tream>12 #include <iosfwd> 13 13 14 14 #include "Views/StringView.hpp" -
src/atom.hpp
r36166d r986ed3 18 18 #endif 19 19 20 #include <ios tream>20 #include <iosfwd> 21 21 #include <list> 22 22 #include <vector> -
src/atom_particleinfo.hpp
r36166d r986ed3 18 18 #endif 19 19 20 #include <ios tream>20 #include <iosfwd> 21 21 22 22 /****************************************** forward declarations *****************************/ -
src/bondgraph.hpp
r36166d r986ed3 18 18 #endif 19 19 20 #include <ios tream>20 #include <iosfwd> 21 21 22 22 /*********************************************** defines ***********************************/ -
src/boundary.cpp
r36166d r986ed3 25 25 #include "Box.hpp" 26 26 27 #include <iostream> 27 28 #include <iomanip> 28 29 -
src/boundary.hpp
r36166d r986ed3 12 12 13 13 #include <fstream> 14 #include <ios tream>14 #include <iosfwd> 15 15 16 16 // STL headers -
src/datacreator.hpp
r36166d r986ed3 10 10 using namespace std; 11 11 12 #include <ios tream>12 #include <iosfwd> 13 13 14 14 /****************************************** forward declarations *****************************/ -
src/element.hpp
r36166d r986ed3 16 16 #endif 17 17 18 #include <ios tream>18 #include <iosfwd> 19 19 #include <string> 20 20 -
src/errorlogger.cpp
r36166d r986ed3 9 9 10 10 #include <fstream> 11 #include <iostream> 11 12 #include "errorlogger.hpp" 12 13 #include "verbose.hpp" -
src/errorlogger.hpp
r36166d r986ed3 9 9 #define ERRORLOGGER_HPP_ 10 10 11 #include <ios tream>11 #include <iosfwd> 12 12 13 13 #include "Patterns/Singleton.hpp" -
src/gslvector.hpp
r36166d r986ed3 18 18 #endif 19 19 20 #include <ios tream>20 #include <iosfwd> 21 21 #include <gsl/gsl_vector.h> 22 22 -
src/helpers.cpp
r36166d r986ed3 10 10 #include "verbose.hpp" 11 11 #include "log.hpp" 12 13 #include <iostream> 12 14 13 15 /********************************************** helpful functions *********************************/ -
src/logger.cpp
r36166d r986ed3 9 9 10 10 #include <fstream> 11 #include <iostream> 11 12 #include "logger.hpp" 12 13 #include "verbose.hpp" -
src/logger.hpp
r36166d r986ed3 9 9 #define LOGGER_HPP_ 10 10 11 #include <ios tream>11 #include <iosfwd> 12 12 13 13 #include "Patterns/Singleton.hpp" -
src/molecule_graph.cpp
r36166d r986ed3 581 581 // From OldGraphNr to CurrentGraphNr ranges an disconnected subgraph 582 582 DoLog(0) && (Log() << Verbose(0) << "Disconnected subgraph ranges from " << OldGraphNr << " to " << DFS.CurrentGraphNr << "." << endl); 583 LeafWalker->Leaf->Output((ofstream *)& cout);583 LeafWalker->Leaf->Output((ofstream *)&(Log() << Verbose(0))); 584 584 DoLog(0) && (Log() << Verbose(0) << endl); 585 585 -
src/periodentafel.hpp
r36166d r986ed3 9 9 #endif 10 10 11 #include <ios tream>11 #include <iosfwd> 12 12 #include <map> 13 #include <iterator>14 13 15 14 #include "unittests/periodentafelTest.hpp" -
src/tesselationhelpers.hpp
r36166d r986ed3 26 26 #include <gsl/gsl_vector.h> 27 27 28 #include <ios tream>28 #include <iosfwd> 29 29 30 30 #include "defs.hpp" -
src/vector.hpp
r36166d r986ed3 11 11 #endif 12 12 13 #include <ios tream>13 #include <iosfwd> 14 14 #include <gsl/gsl_vector.h> 15 15 -
src/verbose.hpp
r36166d r986ed3 18 18 #endif 19 19 20 #include <ios tream>20 #include <iosfwd> 21 21 22 22 /************************************* Class Verbose & Binary *******************************/
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