How to use MDMC
For a quick run-through of the whole MDMC workflow, please see the Argon A-to-Z tutorial.
MDMC consists of two main subsystems; simulation and refinement. The user creates
a Simulation object, and declares some Parameters
that they would like to fit to experimental data. This information is then passed to
a Control object, which begins alternating between
running simulations, adjusting the parameters based on the output, running another
simulation with the new parameters, and so on until the parameters are fitted
to the data.
Each of these subsystems are explained in detail, with Jupyter notebooks, in the following pages:
Simulation