pyiron_dft
Density functional theory (DFT) plugin for pyiron - an integrated development environment (IDE) for computational materials science.
Density functional theory (DFT) plugin for pyiron - an integrated development environment (IDE) for computational materials science.
To install this package, run one of the following:
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.
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
GitHub Repository
https://github.com/pyironDocumentation
https://pyiron.org