knopki / aiida-crystal-dft

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University

aiida-crystal-dft

This is an AiiDA plugin for running the CRYSTAL code, spin-off from the aiida-crystal17 plugin by Chris Sewell.

As of now, the development version can be installed:

>> git clone aiida-crystal-dft
>> pip install -e aiida-crystal-dft

The plugin can be used as any other AiiDA plugin.

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University

MIT License

Language:Python 97.7%Language:Jinja 2.2%Language:Shell 0.1%