PyPI page
Home page
Author:
Augusto de Lelis Araujo
License:
GNU General Public License v3.0
Summary:
The SAMBA code is an open-source, high-throughput Python workflow for generating, simulating, and analyzing twisted bilayers. It features modules for: (i) creating thousands of quasi-commensurate structures via the coincidence lattice method; (ii) assist in the running DFT calculations using VASP; and (iii) extracting and organizing structural, electronic, and energetic properties into a robust dataset.
Latest version:
1.1.0.215
Required dependencies:
ase
|
matplotlib
|
numpy
|
plotly
|
pyfiglet
|
pymatgen
|
requests
|
scipy
|
uuid
|
vasprocar
Downloads last day:
38
Downloads last week:
55
Downloads last month:
361