Last Release: 1.6.0, Monday 9th December 2024
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Dissolve is a simulation tool for the interrogation of neutron scattering data, typically total neutron scattering data. It builds on the techniques established in the Empirical Potential Structure Refinement (EPSR) method by Soper.
The basic algorithms used in both Dissolve and EPSR, and the intent of Dissolve, is described in "Dissolve: next generation software for the interrogation of total scattering data by empirical potential generation", Mol. Phys. 117, 3464-3477 (10.1080/00268976.2019.1651918)
Installers for all major platforms can be found at (https://projectdissolve.com/packages) or on the GitHub releases page, including continuous builds from the latest development branch.
Documentation is a work in progress, and is available here.
Various tutorial material and examples for Dissolve can be found here.
Compilation instructions focussing on Linux-based systems can be found in the documentation, including for an HPC system (SCARF).
If you have discovered a definite bug or an "odd feature" with Dissolve that needs attention, please submit an issue here on GitHub. If you want to talk about usability, how to address specific problems with Dissolve, or aren't sure quite what you've found in the code, consider contacting the authors directly.