| [1fd675] | 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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| [1e45f1f] | 9 | #include "LinearAlgebra/Vector.hpp"
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| [95cfac] | 10 | #include <boost/filesystem/path.hpp>
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| [1e45f1f] | 11 | #include <vector>
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| 12 | typedef std::vector<Vector> Vectors_t;
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| [1fd675] | 13 |
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| [649aaa] | 14 | #include "Parameters/Validators/DummyValidator.hpp"
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| [23958d] | 15 | #include "Parameters/Validators/GenericValidators.hpp"
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| [4882d5] | 16 | #include "Parameters/Validators/Ops_Validator.hpp"
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| [649aaa] | 17 |
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| [1fd675] | 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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| [6ba9ba] | 20 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [bcb593] | 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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| [5eaa23] | 24 | #define paramdefaults (PARAM_DEFAULT(""))(PARAM_DEFAULT(0.1))(PARAM_DEFAULT(true))
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| [bcb593] | 25 | #define paramreferences (forcesfile)(Deltat)(FixedCenterOfMass)
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| [23958d] | 26 | #define paramvalids \
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| [4882d5] | 27 | (DummyValidator< boost::filesystem::path >()) \
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| [23958d] | 28 | (PositiveValidator< double >()) \
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| 29 | (DummyValidator< bool >())
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| [1fd675] | 30 |
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| [1e45f1f] | 31 | #define statetypes (std::vector<AtomicInfo>)(std::vector<Vectors_t>)
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| 32 | #define statereferences (UndoInfo)(UpdatedStep)
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| [1fd675] | 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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| [052bfd8] | 36 | #define MENUNAME "molecule"
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| 37 | #define MENUPOSITION 14
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| [1fd675] | 38 | #define ACTIONNAME VerletIntegration
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| [967b3c] | 39 | #define TOKEN "verlet-integration"
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| [1fd675] | 40 |
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| [24fbf3] | 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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