Euler¶
This integrator implements the explicit Euler method.
The algorithm propagates the positions in time as follows:
where is the timestep.
- class halmd.mdsim.integrators.euler(args)¶
Construct Euler integrator for given system of particles
Parameters: - args (table) – keyword arguments
- args.particle – instance of halmd.mdsim.particle
- args.box – instance of halmd.mdsim.box
- args.timestep (number) – integration time step (defaults to halmd.mdsim.clock.timestep)
- set_timestep(timestep)¶
Set integration time step in MD units.
Parameters: timestep (number) – integration timestep This method forwards to halmd.mdsim.clock.set_timestep(), to ensure that all integrators use an identical time step.
- timestep¶
Integration time step in MD units.
- disconnect()¶
Disconnect integrator from core and profiler.
- integrate()¶
Calculate integration step
By default this function is connected to halmd.mdsim.core.on_integrate().