9 projects
abinslib
A library of calculation methods for inelastic neutron-scattering intensities from harmonic phonon simulation data.
Euphonic
Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)
lobsterpy
Package for automatic bonding analysis with Lobster/VASP
sumo
Heavy weight plotting tools for ab initio solid-state calculations
resins
Python library for working with resolution functions of neutron instruments
namedtuple-table
Simple indexable tables using NamedTuple
inline-reference
Sphinx extension for creating cross-reference links to arbitrary inline text
galore
Broadening and weighting for simulated spectra
kgrid
Reciprocal space sampling for atomistic crystal structures
