A brief overview of the purpose of Dissolve
Dissolve User Guide
Structure Refinement for Scattering Data
© 2022 Team Dissolve and contributors
- Dr T. Youngs
- Dr A. Washington (January 2020 - present)
- D. Nixon (January 2020 - present)
- V. Ionica (February 2022 - May 2022)
- S. Smith (March 2021 - June 2021)
- E. Devlin (August 2021), C. Green (August 2020 - August 2021), Simona (September 2019 - August 2020), J. Busch (October 2019 - December 2019)
- Contributions, testing, and guidance from D. T. Bowron, T. F. Headen, S. Gärtner, T.-L. Hughes, and O. Alderman.
Dissolve is a classical simulation code intended to help in analysing experimental scattering (diffraction) measurements through generating representative atomic configurations consistent with supplied reference data. Its primary use is for disordered systems such as those comprised of (or containing) liquids and glasses, but it can be applied to much more complex systems. See What is Dissolve? for more information.
An initial publication describing Dissolve and proving consistency with existing methodology is available here:
“Dissolve: next generation software for the interrogation of total scattering data by empirical potential generation”, Mol. Phys., Published online 7th August 2019.
How to get Dissolve
Constructing a simulation to do what you want
Invoking Dissolve to do your bidding
Dissolve’s main input file explained
Basic output files written by Dissolve
Descriptions of all modules and their functionality
Defining procedures to create, analyse, and edit
Functional forms and forcefields available in Dissolve
Lists of enumerations etc.
Broad Roadmap for Dissolve’s Development