NCrystal 2.0.0

After several years of investigations and prototyping, followed by almost a year of intense full time work on the actual implementation and fine-tuning of algorithms and interfaces, the NCrystal developers are very proud and excited to finally being able to present the NCrystal v2.0.0 release!

The main feature of this release is that it finally brings proper state-of-the-art inelastic physics to NCrystal. Additionally, also incoherent-elastic scattering was cleaned up and made self-consistent, so NCrystal v2.0.0 can truly be said to be the release in which NCrystal finally moves beyond its former focus on Bragg diffraction. Additionally and also for the first time, NCrystal can now support the modelling of certain non-crystalline materials (e.g. liquids).

The actual changes to NCrystal took place in ~500 commits touching many hundreds of files, and are far too vast to list here. However, a short summary of user-facing changes concerning physics capabilities, the materials data library, and the syntax of NCrystal configuration strings is provided at the release 2.0.0 announcement page.