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        AddingActions_SaveParseParticleParameters
        Adding_Graph_to_ChangeBondActions
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        AtomFragments
        Automaking_mpqc_open
        AutomationFragmentation_failures
        Candidate_v1.5.4
        Candidate_v1.6.0
        Candidate_v1.6.1
        Candidate_v1.7.0
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        ChangingTestPorts
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        CombiningParticlePotentialParsing
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        Debian_package_split_molecuildergui_only
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        EmpiricalPotential_contain_HomologyGraph
        EmpiricalPotential_contain_HomologyGraph_documentation
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        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
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        ForceAnnealing_oldresults
        ForceAnnealing_tocheck
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
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        ForceAnnealing_with_BondGraph_contraction-expansion
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        FragmentMolecule_checks_bonddegrees
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        MoreRobust_FragmentAutomation
        ODR_violation_mpqc_open
        PartialCharges_OrthogonalSummation
        PdbParser_setsAtomName
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          | Last change
 on this file since f55ae5 was             029870, checked in by Frederik Heber <heber@…>, 14 years ago | 
        
          | 
FIX: LinkedCell and LinkedCell_Model now store _const_ TesselPoint ref in their lists and maps.
 this mainly stemmed from changing LinkedCell_Model::addNode() and is required
as World's lastChanged is a const ref (and we do not need to changed the
object itself anyway, we are only bookkeeping!).
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            870 bytes | 
      
      
| Line |  | 
|---|
| 1 | /* | 
|---|
| 2 | * types.hpp | 
|---|
| 3 | * | 
|---|
| 4 | *  Created on: Nov 15, 2011 | 
|---|
| 5 | *      Author: heber | 
|---|
| 6 | */ | 
|---|
| 7 |  | 
|---|
| 8 | #ifndef LINKEDCELL_TYPES_HPP_ | 
|---|
| 9 | #define LINKEDCELL_TYPES_HPP_ | 
|---|
| 10 |  | 
|---|
| 11 | // include config.h | 
|---|
| 12 | #ifdef HAVE_CONFIG_H | 
|---|
| 13 | #include <config.h> | 
|---|
| 14 | #endif | 
|---|
| 15 |  | 
|---|
| 16 | #include <list> | 
|---|
| 17 | #include <vector> | 
|---|
| 18 |  | 
|---|
| 19 | #include <boost/array.hpp> | 
|---|
| 20 | #include <boost/multi_array.hpp> | 
|---|
| 21 |  | 
|---|
| 22 | #include "LinearAlgebra/defs.hpp" | 
|---|
| 23 |  | 
|---|
| 24 | class TesselPoint; | 
|---|
| 25 |  | 
|---|
| 26 | namespace LinkedCell { | 
|---|
| 27 |  | 
|---|
| 28 | //< Upper bound for number of cell nodes used in sensibility check on allocation. | 
|---|
| 29 | enum { MAX_LINKEDCELLNODES = 1000000 }; | 
|---|
| 30 |  | 
|---|
| 31 | class LinkedCell; | 
|---|
| 32 |  | 
|---|
| 33 | //!> linked list of tesselpoints | 
|---|
| 34 | typedef std::list<const TesselPoint *> LinkedList; | 
|---|
| 35 |  | 
|---|
| 36 | //!> three-dimensional array of LinkedCell instances | 
|---|
| 37 | typedef boost::multi_array<LinkedCell *, NDIM> LinkedCellArray; | 
|---|
| 38 |  | 
|---|
| 39 | //!> vector of 3 indices | 
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| 40 | typedef boost::array<LinkedCellArray::index, NDIM> tripleIndex; | 
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| 41 | } | 
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| 42 |  | 
|---|
| 43 | #endif /* LINKEDCELL_TYPES_HPP_ */ | 
|---|
       
      
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