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
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
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_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
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1 | /*
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2 | * World_calculations.hpp
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3 | *
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4 | * Created on: Feb 19, 2010
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5 | * Author: crueger
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6 | */
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7 |
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8 | #ifndef WORLD_CALCULATIONS_HPP_
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9 | #define WORLD_CALCULATIONS_HPP_
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10 |
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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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17 |
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18 | #include "World.hpp"
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19 | #include "Actions/AtomsCalculation.hpp"
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20 |
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21 | using namespace MoleCuilder;
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22 |
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23 | template<typename T>
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24 | AtomsCalculation<T>* World::calcOnAtoms(boost::function<T(atom*)> op,const MoleCuilder::ActionTrait &_trait,AtomDescriptor descr){
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25 | return new AtomsCalculation<T>(op,_trait,descr);
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26 | }
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27 |
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28 | template<typename T>
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29 | AtomsCalculation<T>* World::calcOnAtoms(boost::function<T(atom*)> op,const MoleCuilder::ActionTrait &_trait) {
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30 | return calcOnAtoms<T>(op,_trait,AllAtoms());
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31 | }
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32 |
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33 | #endif /* WORLD_CALCULATIONS_HPP_ */
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