abinslib documentationΒΆ

Documentation for the abinslib library.

This library collects implementations of inelastic neutron-scattering intensity calculations from harmonic phonon data. It relies on Euphonic for phonon data structures, while instrument resolution functions are delegated to ResINS.

Important

The library is currently in alpha state: we expect that functions will be renamed and moved around. In order to use this package in prototype code, please pin to the minor version number e.g. abinslib~=0.1.0.

When the API is stable, the major version number will be increased to 1.0. This follows Semantic Versioning as also used by Euphonic.