| Name | Version | Summary | date |
| aimsgb |
1.1.1 |
aimsgb is a python library for generatng the atomic coordinates of periodic grain boundaries.Copyright © 2018 The Regents of the University of California.All Rights Reserved. See more in Copyright. |
2024-03-15 04:27:06 |
| atom2vec |
1.1.0 |
A python implement of Atom2Vec: a simple way to describe atoms for machine learning |
2024-02-23 21:43:42 |
| diffusivity |
0.1.1 |
diffusivity calculates the diffusion properties by processing trajectory files |
2023-12-05 12:38:44 |
| aiida-kkr |
2.1.0 |
AiiDA plugin for the JuKKR codes |
2023-11-13 12:37:38 |
| pyphotonics |
0.1.6 |
The PyPhotonics python code is a post-processing code written entirely in python which takes as input the output files of the VASP and phonopy codes for a defect system, and calculates the Huang-Rhys factor and the PL lineshapes for that system. |
2023-07-27 07:25:25 |
| masci-tools |
0.15.0 |
masci-tools is a collection of tools for materials science. |
2023-05-03 14:20:28 |
| crystals |
1.6.2 |
Data structures for crystallography |
2023-01-13 13:58:50 |