narupatools.physics.thermodynamics

Methods relating to thermodynamics.

Functions

maxwell_boltzmann_velocities

Create a set of velocities that are distributed according to the Maxwell-Boltzmann distribution.

narupatools.physics.thermodynamics.maxwell_boltzmann_velocities(*, masses: numpy.ndarray[Any, numpy.dtype[numpy.float64]], temperature: float)numpy.ndarray[Any, numpy.dtype[numpy.float64]]

Create a set of velocities that are distributed according to the Maxwell-Boltzmann distribution.

Parameters
  • masses – Masses of each particle in daltons.

  • temperature – Thermodynamic temperature in kelvin.

Returns

NumPy array of velocities in nanometers per picoseconds.