Molecular Dynamics Exercises

This module is unlike most others in that the code is presented in its entirety, and the exercises consist primarily of running code and analyzing the resulting data.

The molecular dynamics software design is adapted from the Digital Material project. The original software is in C++, with a Python interface. The original C++ class design is described here. If you're interested in delving into the code and adding to it, you might find that design document useful.

Perfume Walk Exercise.
Pressure Exercise.
Equilibration Exercise.
Exponential Atmosphere Exercise.
Pair Distribution Function Exercise.
Python:
Lecture on Molecular Dynamics, Digital Material, and Design Patterns

Molecular Dynamics Exercises

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