Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since ea63cb was 6d551c, checked in by Frederik Heber <heber@…>, 13 years ago |
|
ListOfLocalAtoms is now a map, inherited into a distinct class.
- this is preparatory for allowing arbitrary fragmentation of atoms not only of
a single molecule.
|
-
Property mode
set to
100644
|
|
File size:
509 bytes
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| Line | |
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| 1 | /*
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| 2 | * ListOfLocalAtoms.hpp
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| 3 | *
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| 4 | * Created on: Sep 7, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef LISTOFLOCALATOMS_HPP_
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| 9 | #define LISTOFLOCALATOMS_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include <map>
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| 18 |
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| 19 | #include "types.hpp"
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| 20 |
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| 21 | class atom;
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| 22 |
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| 23 | /** This structure contains the reverse lookup to atom::father entry.
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| 24 | *
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| 25 | * We want to know the copied atom from the original one.
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| 26 | *
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| 27 | */
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| 28 | struct ListOfLocalAtoms_t : public std::map<atomId_t, atom *>
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| 29 | {
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| 30 |
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| 31 | };
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| 32 |
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| 33 | #endif /* LISTOFLOCALATOMS_HPP_ */
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|---|
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