Documentation for Release v1.4

Here you can find the user guide and examples for the current release of Dissolve (v1.4). Updated documentation for the current development version is available here, and documentation for the previous release series can be found here.

Copyright / Contributors

© 2024 Team Dissolve and contributors

• Dr T. Youngs
• Dr A. Washington (January 2020 - present)
• D. Nixon (January 2020 - present)
• D. Bradley (January 2023 - present)
• J. Swift (June 2023 - present)
• N. Spitz (July 2023 - 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 Dr D. T. Bowron, Dr T. F. Headen, Dr S. Gärtner, Dr T.-L. Hughes, and Dr O. Alderman.

Overview

Structure Refinement for Scattering Data

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.

Check out Dissolve on GitHub and contribute if you want to!

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.