&control !------ Initialization -------! InitState=1 iRndSeed=1 !------ Simulation Properties -------! IMethod=0 !Single- state dynamics - no couplings. NumParticles=6 !Number of atoms NumStates=1 !number of electronic states !-------- Integration and numerics --------! TimeStep=20.0 !timestep for integration SimulationTime=2000.0 !integration time MinTimeStep=1.0 !minimum adaptive timestep !------- Ouput options ---------! zAllText=.false. zEDatFile=.true. !Energy file zNDatFile=.false. !Population file zTrajFile=.true. !Trajectory data file zAmpFile=.false. !Amplitude files zPotEnFile=.true. !Potential energy files zXYZ=.true. !XYZ files zCoupFile=.false. !Coupling files zChargeFile=.false. !Charge files zDipoleFile=.false. !Dipole files zTDipoleFile=.false. !Transition dipole files / !using default atom types, so user-defined types are not necessary