Boltzmann distribution¶
This module initialises particle velocities from a Boltzmann distribution.
The velocity distribution per degree of freedom is a Gaussian with mean
and width
,
To account for the finite size of the system, the velocities are shifted,
to yield a centre of mass velocity of zero, and scaled,
to yield the temperature for a system with
positional
degrees of freedom, using centre of mass velocity and kinetic energy,
- class halmd.mdsim.velocities.boltzmann(args)¶
Construct boltzmann module.
Parameters: - args (table) – keyword arguments
- args.particle – instance of halmd.mdsim.particle
- args.temperature (number) – temperature of distribution
- set()¶
Initialise particle velocities from Boltzmann distribution.
- temperature¶
Temperature of the distribution in reduced units. The value can be changed by assignment.