Changeset aafd77

Timestamp:

Jul 2, 2010, 2:58:40 PM (14 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

fee079

Parents:

962d8d

git-author:

Tillmann Crueger <crueger@…> (07/02/10 14:55:52)

git-committer:

Tillmann Crueger <crueger@…> (07/02/10 14:58:40)

Message:

Removed all inclusions of GSL-Headers from molecule.hpp

Location:

src

Files:

• atom_trajectoryparticle.hpp (modified) (1 diff)
• molecule.cpp (modified) (2 diffs)
• molecule.hpp (modified) (1 diff)
• molecule_dynamics.cpp (modified) (1 diff)
• molecule_geometry.cpp (modified) (2 diffs)
• molecule_graph.cpp (modified) (1 diff)
• moleculelist.cpp (modified) (1 diff)

src/atom_trajectoryparticle.hpp

@@ -20 +20 @@
 #include <fstream>
 
+#include <gsl/gsl_inline.h>
 #include <gsl/gsl_randist.h>
 

src/molecule.cpp

@@ -5 +5 @@
  */
 
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 #include "Helpers/MemDebug.hpp"
 
@@ -10 +14 @@
 #include <boost/bind.hpp>
 #include <boost/foreach.hpp>
+
+#include <gsl/gsl_inline.h>
+#include <gsl/gsl_heapsort.h>
 
 #include "World.hpp"

src/molecule.hpp

@@ -9 +9 @@
 /*********************************************** includes ***********************************/
 
-// include config.h
 #ifdef HAVE_CONFIG_H
 #include <config.h>
 #endif
-
-// GSL headers
-#include <gsl/gsl_eigen.h>
-#include <gsl/gsl_heapsort.h>
-#include <gsl/gsl_linalg.h>
-#include <gsl/gsl_matrix.h>
-#include <gsl/gsl_multimin.h>
-#include <gsl/gsl_vector.h>
-#include <gsl/gsl_randist.h>
 
 //// STL headers

src/molecule_dynamics.cpp

@@ -19 +19 @@
 #include "Plane.hpp"
 #include "ThermoStatContainer.hpp"
+
+#include <gsl/gsl_matrix.h>
+#include <gsl/gsl_vector.h>
+#include <gsl/gsl_linalg.h>
 
 /************************************* Functions for class molecule *********************************/

src/molecule_geometry.cpp

@@ -5 +5 @@
  *      Author: heber
  */
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 #include "Helpers/MemDebug.hpp"
@@ -22 +26 @@
 #include "Box.hpp"
 #include <boost/foreach.hpp>
+
+#include <gsl/gsl_eigen.h>
+#include <gsl/gsl_multimin.h>
 
 

src/molecule_graph.cpp

@@ -5 +5 @@
  *      Author: heber
  */
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 #include "Helpers/MemDebug.hpp"

src/moleculelist.cpp

@@ -5 +5 @@
  */
 
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 #include "Helpers/MemDebug.hpp"
 
 #include <cstring>
+
+#include <gsl/gsl_inline.h>
+#include <gsl/gsl_heapsort.h>
 
 #include "World.hpp"