Changeset a2f5e5

Timestamp:

Feb 13, 2013, 3:47:45 PM (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:

4e904b

Parents:

42f2f0

git-author:

Frederik Heber <heber@…> (01/10/13 20:58:23)

git-committer:

Frederik Heber <heber@…> (02/13/13 15:47:45)

Message:

FIX: Cleaned up includes in Psi3Parser_Parameters.

Location:

src/Parser

Files:

• MpqcParser_Parameters.cpp (modified) (1 diff)
• MpqcParser_Parameters.hpp (modified) (1 diff)
• Psi3Parser.hpp (modified) (1 diff)
• Psi3Parser_Parameters.cpp (modified) (1 diff)
• Psi3Parser_Parameters.hpp (modified) (1 diff)
• unittests/ParserPsi3UnitTest.cpp (modified) (1 diff)

src/Parser/MpqcParser_Parameters.cpp

@@ -39 +39 @@
 #include "CodePatterns/Log.hpp"
 
-#include "MpqcParser.hpp"
 #include "MpqcParser_Parameters.hpp"
 
 #include "Parameters/Parameter.hpp"
+
 
 MpqcParser_Parameters::MpqcParser_Parameters()

src/Parser/MpqcParser_Parameters.hpp

@@ -18 +18 @@
 #include <vector>
 
-#include "CodePatterns/Clone.hpp"
 #include "CodePatterns/Log.hpp"
 
 #include "Parser/FormatParser_Parameters.hpp"
-
-#include "Parameters/Parameter.hpp"
-#include "Parameters/Value.hpp"
 
 

src/Parser/Psi3Parser.hpp

@@ -67 +67 @@
    * \param center correct atom position by this vector
    */
-  void OutputPsi3Line(ostream * const out, const atom &_atom, const Vector *center) const;
+  void OutputPsi3Line(std::ostream * const out, const atom &_atom, const Vector *center) const;
 
   /** Calculates multiplicites for a given set of \a atoms.

src/Parser/Psi3Parser_Parameters.cpp

@@ -37 +37 @@
 #include <string>
 
-#include "CodePatterns/Assert.hpp"
 #include "CodePatterns/Log.hpp"
-
-#include "Psi3Parser.hpp"
 
 #include "Psi3Parser_Parameters.hpp"

src/Parser/Psi3Parser_Parameters.hpp

@@ -18 +18 @@
 #include <vector>
 
-#include "CodePatterns/Clone.hpp"
-
 #include "Parser/FormatParser_Parameters.hpp"
-
-#include "Parameters/Parameter.hpp"
-#include "Parameters/Value.hpp"
 
 

src/Parser/unittests/ParserPsi3UnitTest.cpp

@@ -40 +40 @@
 
 #include <boost/any.hpp>
+
+#include "CodePatterns/Log.hpp"
 
 #include "Atom/atom.hpp"