aiida-crystal-dft

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

Installation

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.

Name		Name	Last commit message	Last commit date
Latest commit History 344 Commits
.github/workflows		.github/workflows
aiida_crystal_dft		aiida_crystal_dft
examples		examples
.gitignore		.gitignore
.travis.yml		.travis.yml
.whitesource		.whitesource
CITATION.cff		CITATION.cff
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.md		README.md
clean.sh		clean.sh
conftest.py		conftest.py
pylintrc		pylintrc
pyproject.toml		pyproject.toml
sonar-project.properties		sonar-project.properties