PACE (Proper Analysis of Coherent Excitations) is a software project to provide an integrated visualisation, simulation and fitting environment for inelastic neutron scattering data from time-of-flight spectrometers. One major bottleneck with these experiments is the lack of easy-to-use software that can effectively analyse the vast datasets that they collect. Existing packages to visualise and manipulate the data struggle to handle the data, and materials modelling codes are either not implemented for high performance computing (HPC) or their output is not integrated into the analysis framework. Furthermore, proper account of instrument resolution is mostly not performed as it requires parallelisation of the current codes and HPC to be feasible in most cases. PACE aims to deliver parallel computing implementations and integration of proven data analysis packages and modelling codes (Horace, TobyFit, Castep and SpinW) in an integrated framework.
This repository is for documentation for developers of the various different subprojects within PACE.