Code
RMCProfile
A versatile reverse Monte Carlo suite of programs for generating atomistic configurations consistent with total scattering data.
Tucker M G, Keen D A, Dove M T, Goodwin A L and Hui Q
Journal of Physics: Condensed Matter 19, 335218 (2007)
PASCal
An online tool for computing the principal-axis compressibilities or expansivities of materials from variable-temperature/variable-pressure lattice parameter data.
Cliffe M J and Goodwin A L
Journal of Applied Crystallography 45, 1321-1329 (2012)
SPINVERT
Magnetic structure refinement for paramagnets.
Paddison J A M, Stewart J R and Goodwin A L
Journal of Physics: Condensed Matter 25, 454220 (2013)
CHIC
Automated coarse-graining & ML analysis of framework structures.
https://github.com/tcnicholas/chic
Nicholas T C, Alexandrov E V, Blatov V A, Shevchenko A P, Proserpio D M, Goodwin A L and Deringer V L
Chem Mater 33, 8289-8300 (2021)