raspa_ase

An Atomic Simulation Environment (ASE) calculator for the RASPA molecular simulation code.

Documentation 📖

Name		Name	Last commit message	Last commit date
Latest commit History 119 Commits
.github		.github
docs		docs
share		share
src/raspa_ase		src/raspa_ase
tests		tests
.codecov.yml		.codecov.yml
.deepsource.toml		.deepsource.toml
.gitignore		.gitignore
.pre-commit-config.yaml		.pre-commit-config.yaml
.sourcery.yaml		.sourcery.yaml
CHANGELOG.md		CHANGELOG.md
CODE_OF_CONDUCT.md		CODE_OF_CONDUCT.md
LICENSE.md		LICENSE.md
MANIFEST.in		MANIFEST.in
README.md		README.md
mkdocs.yml		mkdocs.yml
pyproject.toml		pyproject.toml