diff --git a/README.md b/README.md index c9f0110..99585ee 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,8 @@ -[![DOI](https://zenodo.org/badge/133041124.svg)](https://zenodo.org/badge/latestdoi/133041124) - ## CP2K Scanning Probe Microscopy tools +[![DOI](https://zenodo.org/badge/133041124.svg)](https://zenodo.org/badge/latestdoi/133041124) +[![PyPI - Version](https://img.shields.io/pypi/v/cp2k-spm-tools?color=4CC61E)](https://pypi.org/project/cp2k-spm-tools/) + Library and scripts to perform scanning probe microscopy simulations based on a [CP2K](https://www.cp2k.org/) calculation. Features include: @@ -79,7 +80,6 @@ Here's the resulting cube file, illustrating the constrained region of evaluatio - ### For maintainers: In order to make a new release of the library and publish to PYPI, run diff --git a/spherical_harmonics.nb b/notebooks/spherical_harmonics.nb similarity index 100% rename from spherical_harmonics.nb rename to notebooks/spherical_harmonics.nb