/* * MolecularDynamicsAction.def * * Created on: Jun 14, 2013 * Author: heber */ // all includes and forward declarations necessary for non-integral types below #include "Parameters/Validators/GenericValidators.hpp" // i.e. there is an integer with variable name Z that can be found in // ValueStorage by the token "Z" -> first column: int, Z, "Z" // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value #define paramtypes (unsigned int)(bool)(bool) #define paramtokens ("steps")("output-every-step")("keep-bondgraph") #define paramdescriptions ("numer of MD steps to perform")("whether World should be written after every step, useful if integration might hang")("whether the bond graph should be kept the same during each step and not updated") #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0")) #define paramreferences (steps)(DoOutput)(DontCreateGraphEachStep) #define paramvalids \ (NotZeroValidator< unsigned int >()) \ (DummyValidator()) \ (DummyValidator()) #undef statetypes #undef statereferences // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Fragmentation #define MENUNAME "fragmentation" #define MENUPOSITION 6 #define ACTIONNAME MolecularDynamics #define TOKEN "molecular-dynamics" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "perform a number of molecular dynamics time integration with forces from fragment solutions" #undef SHORTFORM