How-to guides

Like a cooking recipe, How-to guides help you solve key problems and use cases. If you are a total MAICoS beginner, you should start with the Getting started section. Otherwise this section consists of introductory examples and examples demonstrating specific features of MAICoS’ using its Python API.

For running the examples install maicos with the examples optional dependencies.

pip install maicos[examples]

Example are split into Basics and Dielectrics.

Basics

Basic examples to run MAICoS. These examples assume that you are already familiar with the basic concepts as introduced in the Usage - Python interpreter example.

Usage - command line

Usage - command line

Ideal component of the chemical potential

Ideal component of the chemical potential

Pair distribution functions

Pair distribution functions

Usage - Python interpreter

Usage - Python interpreter

Dielectrics

This section contains examples demonstrating how to calculate and analyze dielectric properties using MAICoS. These tutorials cover different aspects of dielectric analysis in molecular dynamics simulations.

Dielectric profile calculation

Dielectric profile calculation

Dielectric Profile Calculations from Applied Field

Dielectric Profile Calculations from Applied Field

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