next up previous contents index
Next: Temperature Control Up: Cartesian Coordinate Space Previous: Simple Langevin Dynamics

Velocity Assignment

  The initial velocities can be assigned to a Maxwellian distribution (IASVel = MAXWell)

where is a random number between 0 and 1. is the initial temperature specified through the parameter FIRStemperature. Alternatively, the velocities can be assigned to a uniform distribution with width (IASVel=UNIForm). As a third possibility, the initial velocities can be taken from the atom properties VX, VY, VZ and indicated by IASVel= CURRent.

Web Manager
Sat Mar 11 09:37:37 PST 1995