Legacy Examples (version 0.8)

Here you can find various usage examples, tutorials, and step-by-step walkthroughs for version 0.8.X of Dissolve.

Important things are highlighted in the following manner:

Action - Instructs you to do something in the GUI

Tip - Provides a helpful bit of extra advice

Warning - Brings something potentially important to your attention

Relevant data as well as fully-constructed input files (for reference) can be downloaded as a zip or tar.gz from the releases page. Alternatively, you can download individual files from the main GitHub repo.

Basics

Setting up a simple simulation to illustrate the basic workflows of Dissolve. Recommended reading for all first-time users of the code.

Liquid Argon - Step-by-step manual set up of a full simulation and refinement workflow

Descriptive Examples

These examples have more detailed descriptions of the processes involved in order to teach specific concepts or functionality.

Liquid Water - Structure of liquid water at 298 K

Liquid Benzene - Comparing benzene structure

More Examples

Bulk Silica - Bulk amorphous silica