Name | Version | Summary | date |
xdatbus |
0.2.7 |
A Python package for post-analysis of VASP AIMD data |
2024-03-17 23:40:16 |
siman |
1.6.9 |
Manager for DFT calculations |
2024-03-13 12:47:05 |
custodian |
2024.3.12 |
A simple JIT job management framework in Python. |
2024-03-12 19:08:52 |
nonrad |
1.2.0 |
Implementation for computing nonradiative recombination rates in semiconductors |
2024-03-11 23:52:35 |
pymatgen |
2024.3.1 |
Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://materialsproject.org). |
2024-03-01 14:44:18 |
atomate2 |
0.0.14 |
atomate2 is a library of materials science workflows |
2024-02-29 14:34:54 |
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 |
vasp-manager |
1.1.4 |
A simple package to run and analyze VASP calculations |
2024-01-17 23:50:29 |
sumo |
2.3.8 |
Heavy weight plotting tools for ab initio solid-state calculations |
2024-01-10 12:29:05 |
ppVASPy |
0.0.1 |
Post-processes VASP outputs |
2024-01-05 23:10:28 |
vasp-pp |
0.0.4 |
Post-processes VASP outputs |
2024-01-05 22:25:02 |
bandplot |
0.1.6.1 |
Band structure, DOS or phonon band structure plot from vaspkit or phonopy result. |
2023-11-25 00:30:08 |
dpdata |
0.2.17 |
Manipulating data formats of DeePMD-kit, VASP, QE, PWmat, and LAMMPS, etc. |
2023-10-31 02:25:03 |
fpdataviewer |
1.0.1 |
Reads first-principle molecular simulation data and graphs various statistics |
2023-09-28 22:07:44 |
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 |
pymatgen-analysis-diffusion |
2023.8.15 |
Add-on to pymatgen for diffusion analysis. |
2023-08-16 04:00:39 |
dosmaster |
1.7.13 |
DOS(Density Of States) Plot Smartly in Terminal |
2023-08-04 08:49:35 |
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 |