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pyiron_dft

Community

Density functional theory (DFT) plugin for pyiron - an integrated development environment (IDE) for computational materials science.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::pyiron_dft

Usage Tracking

0.1.8
0.1.7
0.1.5
3 / 8 versions selected
Downloads (Last 6 months): 0

Description

pyiron was initially developed in the Computational Materials Design department of Joerg Neugebauer at the Max Planck Insitut für Eisenforschung (Max Planck Insitute for iron research) as a framework for ab initio thermodynamics. In collaboration with the Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) the framework was recently extended for high throughput applications resulting in the opensource release of pyiron.

About

Summary

Density functional theory (DFT) plugin for pyiron - an integrated development environment (IDE) for computational materials science.

Last Updated

Aug 29, 2018 at 16:25

License

BSD-3-Clause

Total Downloads

972