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| 1 | /*
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| 2 | * MolecularDynamicsAction.def
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| 3 | *
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| 4 | * Created on: Jun 14, 2013
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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 "Parameters/Validators/GenericValidators.hpp"
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| 10 |
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| 11 | // i.e. there is an integer with variable name Z that can be found in
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| 12 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 13 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 14 | #define paramtypes (unsigned int)(bool)
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| 15 | #define paramtokens ("steps")("output-every-step")
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| 16 | #define paramdescriptions ("numer of MD steps to perform")("whether World should be written after every step, useful if integration might hang")
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| 17 | #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT("0"))
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| 18 | #define paramreferences (steps)(DoOutput)
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| 19 | #define paramvalids \
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| 20 | (NotZeroValidator< unsigned int >()) \
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| 21 | (DummyValidator<bool>())
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| 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 Fragmentation
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| 28 | #define MENUNAME "fragmentation"
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| 29 | #define MENUPOSITION 6
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| 30 | #define ACTIONNAME MolecularDynamics
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| 31 | #define TOKEN "molecular-dynamics"
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| 32 |
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| 33 |
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| 34 | // finally the information stored in the ActionTrait specialization
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| 35 | #define DESCRIPTION "perform a number of molecular dynamics time integration with forces from fragment solutions"
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| 36 | #undef SHORTFORM
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