Step-by-step set up of a simple simulation, recommended for first-time users of the code
Here you can find various usage examples, tutorials, and step-by-step walkthroughs for the current release of Dissolve (the latest version being 0.9.6). Examples for earlier versions can be found here.
Throughout the examples specific actions to perform in the GUI are given in banners with blue markers as follows:
- Interact with a particular control in the GUI
Click on the
NeutronSQmodule to select it
- Select a menu item
File ⇨ New
- Move to a specific tab
Go to the Refine (EPSR) tab
- Open a specific settings group
Open the Control settings group
- Edit / change a particular value
Set the Temperature to 323 K
- Use a specific hotkey
Additional details for any particular action are provided in sub-banners like so:
File ⇨ Save As…
Save the input file under the name
Tips and warnings are also highlighted where relevant:
Tip - Provides a helpful bit of extra advice
Warning - Brings something potentially important to your attention
Associated Data Files
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.
The following examples represent fully-explained, detailed step-by-step instructions suitable for absolute beginners to Dissolve and/or total scattering analysis.
Examples with less detailed instructions, suitable for users who have completed a few of the starting out examples. Some include follow-on exercises for the reader to challenge your use / knowledge of Dissolve.
Shorter tutorials on how to use a specific aspect of Dissolve, or make the most of particular capability.
Structure of liquid water at 298 K, refining against three isotopically-labelled neutron datasets
Structure of liquid benzene from isotopic neutron data
The ionic liquid 1-ethyl-3-imidazolium acetate
Setting up a metal organic framework system
Importing data from the LigParGen service
Using Dissolve as a post-processor
Usage examples for version 0.8.X of Dissolve