Changeset 649aaa for src/Actions/WorldAction
- Timestamp:
- Jun 13, 2012, 5:39:12 PM (13 years ago)
- 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:
- 8453b3
- Parents:
- 301723
- git-author:
- Frederik Heber <heber@…> (05/09/12 16:17:57)
- git-committer:
- Frederik Heber <heber@…> (06/13/12 17:39:12)
- Location:
- src/Actions/WorldAction
- Files:
-
- 12 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/WorldAction/AddEmptyBoundaryAction.def
r301723 r649aaa 11 11 #include "LinearAlgebra/Vector.hpp" 12 12 13 #include "Parameters/Validators/DummyValidator.hpp" 14 13 15 // i.e. there is an integer with variable name Z that can be found in 14 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 17 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 16 18 #define paramtypes (Vector) 19 #define paramvalids (DummyValidator< Vector >()) 17 20 #define paramtokens ("add-empty-boundary") 18 21 #define paramdescriptions ("desired minimum distance to boundary for each axis over all atoms") -
src/Actions/WorldAction/BoundInBoxAction.def
r301723 r649aaa 10 10 #include "LinearAlgebra/Vector.hpp" 11 11 12 13 #include "Parameters/Validators/DummyValidator.hpp" 12 14 13 15 // i.e. there is an integer with variable name Z that can be found in -
src/Actions/WorldAction/CenterInBoxAction.def
r301723 r649aaa 12 12 #include <boost/shared_ptr.hpp> 13 13 14 #include "Parameters/Validators/DummyValidator.hpp" 15 14 16 // i.e. there is an integer with variable name Z that can be found in 15 17 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 18 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 17 19 #define paramtypes (RealSpaceMatrix) 20 #define paramvalids (DummyValidator< RealSpaceMatrix >()) 18 21 #define paramtokens ("center-in-box") 19 22 #define paramdescriptions ("symmetric matrix of new domain") -
src/Actions/WorldAction/CenterOnEdgeAction.def
r301723 r649aaa 8 8 // all includes and forward declarations necessary for non-integral types below 9 9 #include "LinearAlgebra/Vector.hpp" 10 11 #include "Parameters/Validators/DummyValidator.hpp" 10 12 11 13 // i.e. there is an integer with variable name Z that can be found in -
src/Actions/WorldAction/ChangeBoxAction.def
r301723 r649aaa 10 10 #include "LinearAlgebra/RealSpaceMatrix.hpp" 11 11 12 #include "Parameters/Validators/DummyValidator.hpp" 13 12 14 // i.e. there is an integer with variable name Z that can be found in 13 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 16 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 15 17 #define paramtypes (RealSpaceMatrix) 18 #define paramvalids (DummyValidator< RealSpaceMatrix >()) 16 19 #define paramtokens ("change-box") 17 20 #define paramdescriptions ("symmetrc matrix of the new simulation domain") -
src/Actions/WorldAction/InputAction.def
r301723 r649aaa 9 9 #include <boost/filesystem.hpp> 10 10 11 #include "Parameters/Validators/DummyValidator.hpp" 12 11 13 // i.e. there is an integer with variable name Z that can be found in 12 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 13 15 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 14 16 #define paramtypes (boost::filesystem::path) 17 #define paramvalids (DummyValidator< boost::filesystem::path >()) 15 18 #define paramtokens ("input") 16 19 #define paramdescriptions ("name of input files") -
src/Actions/WorldAction/OutputAction.def
r301723 r649aaa 9 9 # 10 10 11 #include "Parameters/Validators/DummyValidator.hpp" 12 11 13 // i.e. there is an integer with variable name Z that can be found in 12 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 13 15 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 14 16 #define paramtypes (boost::filesystem::path) 17 #define paramvalids (DummyValidator< boost::filesystem::path >()) 15 18 #define paramtokens ("output") 16 19 #define paramdescriptions ("filename to write to") -
src/Actions/WorldAction/RepeatBoxAction.def
r301723 r649aaa 13 13 class molecule; 14 14 15 #include "Parameters/Validators/DummyValidator.hpp" 16 15 17 // i.e. there is an integer with variable name Z that can be found in 16 18 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 19 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 18 20 #define paramtypes (std::vector< unsigned int >) 21 #define paramvalids (DummyValidator< std::vector< unsigned int > >()) 19 22 #define paramtokens ("repeat-box") 20 23 #define paramdescriptions ("number of copies to create per axis") -
src/Actions/WorldAction/ScaleBoxAction.def
r301723 r649aaa 10 10 #include "LinearAlgebra/Vector.hpp" 11 11 12 #include "Parameters/Validators/DummyValidator.hpp" 13 12 14 // i.e. there is an integer with variable name Z that can be found in 13 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 16 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 15 17 #define paramtypes (Vector) 18 #define paramvalids (DummyValidator< Vector >()) 16 19 #define paramtokens ("scale-box") 17 20 #define paramdescriptions ("scaling factor for each axis") -
src/Actions/WorldAction/SetBoundaryConditionsAction.def
r301723 r649aaa 10 10 #include <string> 11 11 12 #include "Parameters/Validators/DummyValidator.hpp" 13 12 14 // i.e. there is an integer with variable name Z that can be found in 13 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 16 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 15 17 #define paramtypes (std::vector< std::string >) 18 #define paramvalids (DummyValidator< std::vector< std::string > >()) 16 19 #define paramtokens ("set-boundary-conditions") 17 20 #define paramdescriptions ("new boundary conditions as list of three strings, e.g. 'wrap wrap ignore'") -
src/Actions/WorldAction/SetDefaultNameAction.def
r301723 r649aaa 9 9 10 10 11 #include "Parameters/Validators/DummyValidator.hpp" 12 11 13 // i.e. there is an integer with variable name Z that can be found in 12 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 13 15 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 14 16 #define paramtypes (std::string) 17 #define paramvalids (DummyValidator< std::string >()) 15 18 #define paramtokens ("default-molname") 16 19 #define paramdescriptions ("new default name of new molecules") -
src/Actions/WorldAction/SetWorldTimeAction.def
r301723 r649aaa 9 9 10 10 11 #include "Parameters/Validators/DummyValidator.hpp" 12 11 13 // i.e. there is an integer with variable name Z that can be found in 12 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 13 15 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value 14 16 #define paramtypes (unsigned int) 17 #define paramvalids (DummyValidator< unsigned int >()) 15 18 #define paramtokens ("set-world-time") 16 19 #define paramdescriptions ("new time step")
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