7 results found Sort:

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
4,945 commits to main branch, last one a day ago
dean0x7d
pybinding dean0x7d
69
190
bsd-2-clause
14
Scientific Python package for tight-binding calculations in solid state physics
tight-binding band-structure condensed-matter quantum-mechanics solid-state-physics scientific-computing
Created 2015-02-21
774 commits to master branch, last one 4 years ago
abinit
abipy abinit
96
117
other
15
Open-source library for analyzing the results produced by ABINIT
abinit python physics science materials-science solid-state-physics materials-informatics density-functional-theory
Created 2013-06-26
3,611 commits to develop branch, last one 6 days ago
osscar-org
quantum-mechanics osscar-org
31
97
other
3
A collection of interactive notebooks to explain concepts of quantum mechanics and related topics
jupyter band-theory jupyter-notebooks quantum-mechanics molecular-dynamics solid-state-physics interactive-notebooks statistical-mechanics computational-materials-science
Created 2020-04-27
820 commits to master branch, last one about a month ago
Z2PackDev
Z2Pack Z2PackDev
51
84
gpl-3.0
10
A tool for calculating topological invariants.
python tight-binding first-principles solid-state-physics topological-numbers
Created 2014-10-13
937 commits to main branch, last one 3 months ago
pyscal
pyscal pyscal
16
57
bsd-3-clause
3
Python library written in C++ for calculation of local atomic structural environment
lammps nucleation steinhardt order-parameters molecular-dynamics solid-state-physics bond-order-parameters steinhardt-bond-order-parameters
Created 2018-08-01
1,048 commits to master branch, last one 3 months ago
Cloudiiink
pyw90 Cloudiiink
3
32
gpl-3.0
1
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
vasp python wannier90 tight-binding solid-state-physics
Created 2022-09-09
63 commits to master branch, last one 3 months ago