| Name | Version | Summary | date |
| sumo2 |
0.0.1 |
Heavy weight plotting tools for ab initio solid-state calculations |
2024-04-08 11:00:27 |
| shakenbreak |
3.3.1 |
Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations. |
2024-02-29 22:42:03 |
| mp-pyrho |
0.4.4 |
Tools for re-griding periodic volumetric quantum chemistry data for machine-learning purposes. |
2024-02-23 02:55:28 |
| ifermi |
0.3.4 |
Fermi surface plotting tool from DFT output |
2024-02-06 21:14:44 |
| sumo |
2.3.8 |
Heavy weight plotting tools for ab initio solid-state calculations |
2024-01-10 12:29:05 |
| abipy |
0.9.6 |
Python package to automate ABINIT calculations and analyze the results. |
2023-08-29 14:21:26 |
| pymatgen-io-fleur |
0.5.0 |
A pymatgen add-on for IO for the fleur code. |
2023-05-05 12:24:58 |
| pymatgen-analysis-alloys |
0.0.6 |
A pymatgen add-on library with classes useful for describing alloy (disordered) systems. |
2023-03-29 22:38:42 |