| 1 | /* | 
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| 2 | * VerletIntegrationAction.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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| 9 | #include "LinearAlgebra/Vector.hpp" | 
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| 10 | #include <boost/filesystem/path.hpp> | 
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| 11 | #include <vector> | 
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| 12 | typedef std::vector<Vector> Vectors_t; | 
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| 13 |  | 
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| 14 | #include "Parameters/Validators/DummyValidator.hpp" | 
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| 15 | #include "Parameters/Validators/GenericValidators.hpp" | 
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| 16 | #include "Parameters/Validators/Ops_Validator.hpp" | 
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| 17 |  | 
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| 18 | // i.e. there is an integer with variable name Z that can be found in | 
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| 19 | // ValueStorage by the token "Z" -> first column: int, Z, "Z" | 
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| 20 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value | 
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| 21 | #define paramtypes (boost::filesystem::path)(double)(bool) | 
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| 22 | #define paramtokens ("forces-file")("deltat")("keep-fixed-CenterOfMass") | 
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| 23 | #define paramdescriptions ("file containing")("time step width")("whether forces and velocities shall be corrected such that center of mass remains at rest") | 
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| 24 | #define paramdefaults (PARAM_DEFAULT(""))(PARAM_DEFAULT(0.1))(PARAM_DEFAULT(true)) | 
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| 25 | #define paramreferences (forcesfile)(Deltat)(FixedCenterOfMass) | 
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| 26 | #define paramvalids \ | 
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| 27 | (DummyValidator< boost::filesystem::path >()) \ | 
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| 28 | (PositiveValidator< double >()) \ | 
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| 29 | (DummyValidator< bool >()) | 
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| 30 |  | 
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| 31 | #define statetypes (std::vector<AtomicInfo>)(std::vector<Vectors_t>) | 
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| 32 | #define statereferences (UndoInfo)(UpdatedStep) | 
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| 33 |  | 
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| 34 | // some defines for all the names, you may use ACTION, STATE and PARAMS | 
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| 35 | #define CATEGORY Molecule | 
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| 36 | #define MENUNAME "molecule" | 
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| 37 | #define MENUPOSITION 14 | 
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| 38 | #define ACTIONNAME VerletIntegration | 
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| 39 | #define TOKEN "verlet-integration" | 
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| 40 |  | 
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| 41 |  | 
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| 42 | // finally the information stored in the ActionTrait specialization | 
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| 43 | #define DESCRIPTION "perform verlet integration of a given force file" | 
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| 44 | #define SHORTFORM "P" | 
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