Package src :: Package propagators :: Package functions :: Module leapfrog
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Module leapfrog

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Functions [hide private]
 
leapfrog(phys, forces, io, steps, timestep, fg)
Implements the Leapfrog method.
source code
Variables [hide private]
  name = "leapfrog"
Propagator name for the factory
  parameters = ()
Parameters and defaults
Function Details [hide private]

leapfrog(phys, forces, io, steps, timestep, fg)

source code 

Implements the Leapfrog method.

  1. Half-timestep update of velocities.
  2. Full-timestep update of positions.
  3. Half-timestep update of velocities.

cf. R. W. Hockney and J. W. Eastwood, Computer Simulation Using Particles. New York: McGraw-Hill, 1981.

Parameters:
  • phys (Physical) - The physical system.
  • forces (Forces) - MDL Forces object.
  • io (IO) - MDL IO object.
  • steps (int) - Number of steps to run.
  • timestep (float) - Timestep for propagation.
  • fg (ForceField) - MDL force field for evaluation.