analysis.momentum

A package containing classes and functions to check the total linear momentum of velocity trajectories.

Classes

Momentum

A class to calculate the norm of the total linear momentum of a selection of atoms for every frame of a velocity trajectory.

MomentumDataWriter

A class to write momentum data to output files.

Functions

check_momentum()

A function to calculate and write the total linear momentum norm per frame of a velocity trajectory.

Submodules

Summary

__all__ Classes:

Momentum

A class for calculating the norm of the total linear momentum of a selection of atoms for every frame of a velocity trajectory.

MomentumDataWriter

Class for writing the data of a Momentum analysis to a file.

__all__ Functions:

check_momentum

Calculate the total linear momentum norm per frame and write it.