diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index d332e3c..c577333 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -75,6 +75,6 @@ jobs: uses: codecov/codecov-action@v3 with: token: ${{ secrets.CODECOV_TOKEN }} - name: pytests-lammps + name: pytests-vibroscopy3.9 flags: pytests fail_ci_if_error: true diff --git a/README.md b/README.md index 7c7454f..a092c4d 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,18 @@ # aiida-vibroscopy -[![PyPI version](https://badge.fury.io/py/aiida-vibroscopy.svg)](https://badge.fury.io/py/aiida-vibroscopy) -[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-vibroscopy.svg)](https://pypi.python.org/pypi/aiida-vibroscopy) -[![Build Status](https://github.com/bastonero/aiida-vibroscopy/actions/workflows/ci.yml/badge.svg?branch=main)](https://github.com/bastonero/aiida-vibroscopy/actions) -[![Docs status](https://readthedocs.org/projects/aiida-vibroscopy/badge)](http://aiida-vibroscopy.readthedocs.io/) AiiDA plugin that uses finite displacements and fields -to compute phonon properties, dielectric and -Born effective charges tensors, Infrared and Raman spectra. +to compute phonon properties, dielectric, Born effective charges, + Raman and non-linear optical susceptibility tensors, +coming with lots of post-processing tools to compute infrared and +Raman spectra in different settings. + +| | | +|-----|----------------------------------------------------------------------------| +|Latest release| [![PyPI version](https://badge.fury.io/py/aiida-vibroscopy.svg)](https://badge.fury.io/py/aiida-vibroscopy)[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-vibroscopy.svg)](https://pypi.python.org/pypi/aiida-vibroscopy) | +|Getting help| [![Docs status](https://readthedocs.org/projects/aiida-vibroscopy/badge)](http://aiida-vibroscopy.readthedocs.io/) [![Discourse status](https://img.shields.io/discourse/status?server=https%3A%2F%2Faiida.discourse.group%2F)](https://aiida.discourse.group/) +|Build status| [![Build Status](https://github.com/bastonero/aiida-vibroscopy/actions/workflows/ci.yml/badge.svg?branch=main)](https://github.com/bastonero/aiida-vibroscopy/actions) [![Coverage Status](https://codecov.io/gh/bastonero/aiida-vibroscopy/branch/main/graph/badge.svg)](https://codecov.io/gh/bastonero/aiida-vibroscopy) | +|Activity| [![PyPI-downloads](https://img.shields.io/pypi/dm/aiida-vibroscopy.svg?style=flat)](https://pypistats.org/packages/aiida-vibroscopy) [![Commit Activity](https://img.shields.io/github/commit-activity/m/bastonero/aiida-vibroscopy.svg)](https://github.com/bastonero/aiida-vibroscopy/pulse) +|Community| [![Discourse](https://img.shields.io/discourse/topics?server=https%3A%2F%2Faiida.discourse.group%2F&logo=discourse)](https://aiida.discourse.group/) ## Installation To install from PyPI, simply execute: