/* * VerletIntegrationAction.def * * Created on: Aug 26, 2010 * Author: heber */ // all includes and forward declarations necessary for non-integral types below class MoleculeListClass; // 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 (NODEFAULT) for each (undefined) default value #define paramtypes (boost::filesystem::path)(double)(int)(bool) #define paramtokens ("verlet-integration")("deltat")("MDSteps")("keep-fixed-CenterOfMass") #define paramdescriptions ("perform verlet integration of a given force file")("time step width")("number of MDSteps to integrate")("whether forces and velocities shall be corrected such that center of mass remains at rest") #undef paramdefaults #define paramreferences (forcesfile)(Deltat)(MDSteps)(FixedCenterOfMass) #undef statetypes #undef statereferences // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Molecule #define MENUNAME "molecule" #define MENUPOSITION 14 #define ACTIONNAME VerletIntegration #define TOKEN "verlet-integration" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "perform verlet integration of a given force file" #define SHORTFORM "P"