| Name | Version | Summary | date |
| bandplot |
0.1.6.1 |
Band structure, DOS or phonon band structure plot from vaspkit or phonopy result. |
2023-11-25 00:30:08 |
| hiperccat |
0.0.1 |
tools for automating job creation and management for DFT calculations |
2023-11-23 20:28:57 |
| aiida-kkr |
2.1.0 |
AiiDA plugin for the JuKKR codes |
2023-11-13 12:37:38 |
| sisl |
0.14.3 |
Manipulation and post-processing of DFT output and creating tight-binding models for NEGF transport |
2023-11-07 14:27:57 |
| mkits |
0.90 |
multi-DFT codes assistant program. |
2023-11-06 09:24:28 |
| aqme |
1.5.2 |
Automated Quantum Mechanical Environments |
2023-10-30 10:52:21 |
| pyrovskite |
1.0.0 |
Python package for 2D- and 3D-perovskites |
2023-09-26 22:45:56 |
| solid-dmft |
3.2.1 |
solid_dmft: a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library |
2023-09-25 20:06:34 |
| ipyvasp |
0.7.8 |
A processing tool for VASP DFT input/output processing in Jupyter Notebook. |
2023-09-19 23:54:30 |
| amset |
0.4.20 |
AMSET is a tool to calculate carrier transport properties from ab initio calculation data |
2023-08-24 20:25:33 |
| 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 |
| dqclibs |
0.1.1 |
Libraries for DQC |
2023-07-05 11:17:43 |
| aiida-fleur |
2.0.0 |
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities |
2023-05-03 19:47:08 |
| masci-tools |
0.15.0 |
masci-tools is a collection of tools for materials science. |
2023-05-03 14:20:28 |
| TESTE-topologic |
0.0.1 |
... |
2023-04-14 13:11:18 |
| kpLib |
1.1.1 |
Library for generating highly-efficient generalized Monkhorst-Pack K-point grids to accelerate electronic structure calculations, like DFT. |
2023-04-09 05:10:53 |
| qdft |
0.5 |
Constant-Q Sliding DFT |
2023-01-28 22:17:20 |
| sdft |
1.4 |
Forward and inverse Sliding Discrete Fourier Transform (Sliding DFT) |
2023-01-15 11:32:38 |
| minflow |
0.0.1 |
A basic package for a customized workflow using quantum espresso or abinit. |
2023-01-05 17:31:13 |
| mdf-forge |
0.8.0 |
Materials Data Facility python package |
2022-05-09 21:12:35 |