Beginner's Guide - Argon
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 Dissolve.
Throughout the examples specific actions to perform in the GUI are given in banners with blue markers as follows:
Click on the
NeutronSQ
module to select it
File ⇨ New
Go to the Refine (EPSR) tab
Open the Control settings group
Set the Temperature to 323 K
Ctrl-F
Additional details for any particular action are provided in sub-banners like so:
File ⇨ Save As…
Save the input file under the name
test.txt
Tips and warnings are also highlighted where relevant:
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.
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.
Step-by-step set up of a simple simulation, recommended for first-time users of the code
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