3 results found Sort:

pierrehirel
atomsk pierrehirel
75
205
gpl-3.0
18
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
cif gulp vasp ovito lammps siesta atomeye science ab-initio dislocation open-source polycrystal atomic-design cheminformatics crystal-builder file-conversion quantum-espresso materials-science physics-simulation atomistic-simulations
Created 2016-07-07
425 commits to master branch, last one 22 days ago
zerothi
sisl zerothi
60
201
mpl-2.0
17
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
dft gulp negf vasp bigdft siesta physics tbtrans geometry graphene wannier90 transiesta solid-state tight-binding condensed-matter solid-state-physics density-functional-theory
Created 2015-06-30
4,957 commits to main branch, last one a day ago
mailhexu
TB2J mailhexu
30
72
bsd-2-clause
9
a python package for computing magnetic interaction parameters
dft spin siesta dynamics wannier90 tight-binding heisenberg-model
Created 2019-06-17
425 commits to master branch, last one 4 months ago