Updated 9 months ago
sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Updated 9 months ago
grogupy
Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.
Updated 9 months ago
sitator
Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
Updated 9 months ago
sstc
(S)olid (s)tate (T)ask (C)onstructor: A high-perfomance computing oriented library to create integration and sampling tasks in the BZ of a crystal for k-dependent functions.