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
Rev | Line | |
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[d74077] | 1 | /*
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| 2 | * TesselPoint.hpp
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| 3 | *
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| 4 | * Created on: Jul 30, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef TESSELPOINT_HPP_
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| 9 | #define TESSELPOINT_HPP_
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| 10 |
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[56f73b] | 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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[d74077] | 17 | #include "atom_atominfo.hpp"
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| 18 | #include "atom_particleinfo.hpp"
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| 19 |
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| 20 | class TesselPoint;
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| 21 |
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| 22 | class TesselPoint : public virtual ParticleInfo, public virtual AtomInfo
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| 23 | {
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| 24 | public:
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| 25 | TesselPoint();
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| 26 | ~TesselPoint();
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| 27 |
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[e2373df] | 28 | /** Pushes back another step in all trajectory vectors.
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| 29 | *
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| 30 | * This allows to extend all trajectories contained in different classes
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| 31 | * consistently. This is implemented by the topmost class which calls the
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| 32 | * real functions, \sa AppendTrajectoryStep(), by all necessary subclasses.
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| 33 | *
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| 34 | * Note that this function is actually not sensible with TesselPoints
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| 35 | * as they should not have trajectories but is implemented as they can be
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| 36 | * used stand-alone.
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| 37 | *
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| 38 | */
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| 39 | virtual void UpdateSteps();
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| 40 |
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[ba5215] | 41 | /** Getter for this.
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| 42 | *
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| 43 | * \note this is only present due to BoundaryPointSet, where TesselPoint is
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| 44 | * only embedded and PointCloud where we have to access this TesselPoint.
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| 45 | *
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| 46 | * @return reference to embedded TesselPoint \a node
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| 47 | */
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| 48 | TesselPoint *getTesselPoint();
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| 49 |
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[d74077] | 50 | std::ostream & operator << (std::ostream &ost) const;
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| 51 | };
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| 52 |
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| 53 | std::ostream & operator << (std::ostream &ost, const TesselPoint &t);
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| 54 |
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| 55 | #endif /* TESSELPOINT_HPP_ */
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