# Examples

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.

### Instructions

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 NeutronSQ module 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

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

### 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.

## Starting Out

The following examples represent fully-explained, detailed step-by-step instructions suitable for absolute beginners to Dissolve and/or total scattering analysis.

Argon

Bulk Silica

Liquid Water

Benzene

## Intermediate Examples

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.

An Ionic Liquid
##### The ionic liquid 1-ethyl-3-methylimidazolium acetate

Framework Systems

## Usage Examples

Shorter tutorials on how to use a specific aspect of Dissolve, or make the most of particular capability.

Importing from LigParGen
##### Using the LigParGen service to obtain species forcefields

Dissolve as a Post-Processor

##### Beginner's Guide - Argon

Step-by-step set up of a simple simulation, recommended for first-time users of the code

##### Liquid Water

Structure of liquid water at 298 K, refining against three isotopically-labelled neutron datasets

##### A Simple Aromatic

Structure of liquid benzene from isotopic neutron data

##### Ionic Liquid (EMIM-OAc)

The ionic liquid 1-ethyl-3-imidazolium acetate

##### A Metal Organic Framework

Setting up a metal organic framework system

##### LigParGen Forcefields

Importing data from the LigParGen service

##### Post Processing

Using Dissolve as a post-processor

##### Legacy Examples (version 0.8)

Usage examples for version 0.8.X of Dissolve

Last modified June 15, 2022: Examples - 0.9.1 part 2 (#1127) (0f26f4062)