Changeset ab26c3 for src

Timestamp:

Nov 3, 2011, 7:44:02 PM (14 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:

c2808e

Parents:

41a467

git-author:

Frederik Heber <heber@…> (10/27/11 15:19:48)

git-committer:

Frederik Heber <heber@…> (11/03/11 19:44:02)

Message:

Moved ThermoStatContainer to folder src/Thermostats.

Location:

src

Files:

• Dynamics/VerletForceIntegration.hpp (modified) (1 diff)
• Makefile.am (modified) (3 diffs)
• Parser/PcpParser.cpp (modified) (1 diff)
• Thermostats/Berendsen.cpp (modified) (1 diff)
• Thermostats/Langevin.cpp (modified) (1 diff)
• Thermostats/NoseHoover.cpp (modified) (1 diff)
• Thermostats/ThermoStatContainer.cpp (moved) (moved from src/ThermoStatContainer.cpp ) (1 diff)
• Thermostats/ThermoStatContainer.hpp (moved) (moved from src/ThermoStatContainer.hpp )
• Thermostats/Woodcock.cpp (modified) (1 diff)
• World.cpp (modified) (1 diff)

src/Dynamics/VerletForceIntegration.hpp

@@ -24 +24 @@
 #include "Helpers/helpers.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 #include "Thermostats/Berendsen.hpp"
 #include "World.hpp"

src/Makefile.am

@@ -120 +120 @@
   Thermostats/NoThermostat.cpp \
   Thermostats/Thermostat.cpp \
+  Thermostats/ThermoStatContainer.cpp \
   Thermostats/Woodcock.cpp
 
@@ -176 +177 @@
   molecule_geometry.cpp \
   molecule_graph.cpp \
-  ThermoStatContainer.cpp \
   UIElements/UIFactory.cpp \
   version.c \
@@ -196 +196 @@
   MoleculeLeafClass.hpp \
   molecule.hpp \
-  ThermoStatContainer.hpp \
   types.hpp \
   UIElements/UIFactory.hpp \

src/Parser/PcpParser.cpp

@@ -36 +36 @@
 #include "Parser/ConfigFileBuffer.hpp"
 #include "Parser/PcpParser_helper.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 #include "World.hpp"
 

src/Thermostats/Berendsen.cpp

@@ -20 +20 @@
 #include "Helpers/defs.hpp"
 #include "Parser/PcpParser_helper.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 #include "World.hpp"
 

src/Thermostats/Langevin.cpp

@@ -19 +19 @@
 #include "Element/element.hpp"
 #include "Helpers/defs.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 
 #include <boost/random/mersenne_twister.hpp>

src/Thermostats/NoseHoover.cpp

@@ -20 +20 @@
 #include "Helpers/defs.hpp"
 #include "Parser/PcpParser_helper.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 #include "World.hpp"
 

src/Thermostats/ThermoStatContainer.cpp

@@ -23 +23 @@
 
 #include "CodePatterns/Log.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 #include "Parser/ConfigFileBuffer.hpp"
 

src/Thermostats/Woodcock.cpp

@@ -19 +19 @@
 #include "Helpers/defs.hpp"
 #include "Parser/PcpParser_helper.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 
 #include <sstream>

src/World.cpp

@@ -42 +42 @@
 #include "molecule.hpp"
 #include "MoleculeListClass.hpp"
-#include "ThermoStatContainer.hpp"
+#include "Thermostats/ThermoStatContainer.hpp"
 #include "WorldTime.hpp"