Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
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_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
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_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
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
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since eaef9b was 2affd1, checked in by Frederik Heber <heber@…>, 10 years ago |
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Removed molecules_deprecated from World and unnecessary includes of MoleculeListClass and all insert/erase.
- this goes along the lines of removing "remove me when we don't need
MoleculeCistClass anymore".
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-
Property mode
set to
100644
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File size:
1.2 KB
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| Rev | Line | |
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| [1fd675] | 1 | /*
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| 2 | * SaveTemperatureAction.def
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| 3 | *
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| 4 | * Created on: Aug 26, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | // all includes and forward declarations necessary for non-integral types below
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| [23958d] | 9 | #include "Parameters/Validators/Ops_Validator.hpp"
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| 10 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| [649aaa] | 11 |
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| [1fd675] | 12 | // i.e. there is an integer with variable name Z that can be found in
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| 13 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| [6ba9ba] | 14 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [e4afb4] | 15 | #define paramtypes (boost::filesystem::path)
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| [d57341] | 16 | #define paramtokens ("save-temperature")
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| [fc192f] | 17 | #define paramdescriptions ("name of the temperature file to write to")
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| [e4afb4] | 18 | #undef paramdefaults
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| [1fd675] | 19 | #define paramreferences (temperaturefile)
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| [23958d] | 20 | #define paramvalids \
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| 21 | (!FilePresentValidator())
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| [1fd675] | 22 |
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| 23 | #undef statetypes
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| 24 | #undef statereferences
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| 25 |
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| 26 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 27 | #define CATEGORY Molecule
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| [052bfd8] | 28 | #define MENUNAME "molecule"
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| 29 | #define MENUPOSITION 12
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| [1fd675] | 30 | #define ACTIONNAME SaveTemperature
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| 31 | #define TOKEN "save-temperature"
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| 32 |
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| [24fbf3] | 33 |
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| 34 | // finally the information stored in the ActionTrait specialization
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| [e4afb4] | 35 | #define DESCRIPTION "save the temperature per time step to file"
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| [8009ce] | 36 | #undef SHORTFORM
|
|---|
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