1 | /*
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2 | * ForceAnnealingAction.def
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3 | *
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4 | * Created on: Aug 02, 2014
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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 <boost/filesystem/path.hpp>
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10 |
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11 | #include "Parameters/Validators/DummyValidator.hpp"
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12 | #include "Parameters/Validators/GenericValidators.hpp"
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13 | #include "Parameters/Validators/Ops_Validator.hpp"
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14 |
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15 | // i.e. there is an integer with variable name Z that can be found in
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16 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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17 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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18 | #define paramtypes (boost::filesystem::path)(unsigned int)(bool)
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19 | #define paramtokens ("forces-file")("steps")("output-every-step")
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20 | #define paramdescriptions ("file containing")("fixed number of optimization steps to be performed")("whether WorldTime should be increased and output written after every step, useful if optimization might hang")
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21 | #define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(PARAM_DEFAULT("0"))
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22 | #define paramreferences (forcesfile)(steps)(DoOutput)
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23 | #define paramvalids \
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24 | (DummyValidator< boost::filesystem::path >()) \
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25 | (NotZeroValidator< unsigned int >()) \
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26 | (DummyValidator<bool>())
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27 |
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28 | #define statetypes (std::vector<AtomicInfo>)(std::vector<AtomicInfo>)
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29 | #define statereferences (UndoInfo)(RedoInfo)
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30 |
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31 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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32 | #define CATEGORY Molecule
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33 | #define MENUNAME "molecule"
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34 | #define MENUPOSITION 12
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35 | #define ACTIONNAME ForceAnnealing
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36 | #define TOKEN "force-annealing"
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37 |
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38 | // finally the information stored in the ActionTrait specialization
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39 | #define DESCRIPTION "perform a single step optimizing the current forces acting on the atoms"
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40 | #undef SHORTFORM
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