Welcome to the Masci-tools’s documentation!¶
If you use this package please cite:
Requirements to use this code:¶
- lxml
- ase
- masci-tools
Installation Instructions:¶
Install from pypi the latest release:
$ pip install masci-tools
or from the aiida-fleur source folder any branch:
$ pip install .
# or which is very useful to keep track of the changes (developers)
$ pip install -e .
Acknowledgments:¶
We acknowledge partial support from the EU Centre of Excellence “MaX – Materials Design at the Exascale” (http://www.max-centre.eu). (Horizon 2020 EINFRA-5, Grant No. 676598) We thank the AiiDA team for their help and work. Also the vial exchange with developers of AiiDA packages for other codes was inspireing.