diff --git a/README.md b/README.md index ae2b2c1..407a1dc 100644 --- a/README.md +++ b/README.md @@ -1,10 +1,10 @@ # SeeK-path -Test status for default branch: [![Test status](https://github.com/giovannipizzi/seekpath/actions/workflows/ci.yml/badge.svg)](https://github.com/giovannipizzi/seekpath/actions/workflows/ci.yml) +Test status for default branch: [![Test status](https://github.com/materialscloud-org/seekpath/actions/workflows/ci.yml/badge.svg)](https://github.com/materialscloud-org/seekpath/actions/workflows/ci.yml) `SeeK-path` is a python module to obtain band paths in the Brillouin zone of crystal structures. -The definition of k-point labels follows crystallographic convention, as defined and discussed in the [HPKOT paper](http://dx.doi.org/10.1016/j.commatsci.2016.10.015). Moreover, the Bravais lattice is detected properly using the spacegroup symmetry. Also, the suggested band path provided in the [HPKOT paper](http://dx.doi.org/10.1016/j.commatsci.2016.10.015) is returned. Systems without time-reversal and inversion-symmetry are also properly taken into account. +The definition of k-point labels follows crystallographic convention, as defined and discussed in the [HPKOT paper](https://dx.doi.org/10.1016/j.commatsci.2016.10.015). Moreover, the Bravais lattice is detected properly using the spacegroup symmetry. Also, the suggested band path provided in the [HPKOT paper](https://dx.doi.org/10.1016/j.commatsci.2016.10.015) is returned. Systems without time-reversal and inversion-symmetry are also properly taken into account. ## Contents @@ -18,12 +18,12 @@ The definition of k-point labels follows crystallographic convention, as defined If you use this tool, please cite the following work: -- Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, I. Tanaka, *Band structure diagram paths based on crystallography*, Comp. Mat. Sci. 128, 140 (2017) ([JOURNAL LINK](http://dx.doi.org/10.1016/j.commatsci.2016.10.015), [arXiv link](https://arxiv.org/abs/1602.06402)). -- You should also cite [spglib](http://atztogo.github.io/spglib/) that is an essential library used in the implementation: A. Togo, I. Tanaka, "Spglib: a software library for crystal symmetry search", arXiv:1808.01590 (2018) ([spglib arXiv link](https://arxiv.org/abs/1808.01590)). +- Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, I. Tanaka, *Band structure diagram paths based on crystallography*, Comp. Mat. Sci. 128, 140 (2017) ([JOURNAL LINK](https://dx.doi.org/10.1016/j.commatsci.2016.10.015), [arXiv link](https://arxiv.org/abs/1602.06402)). +- You should also cite [spglib](https://atztogo.github.io/spglib/) that is an essential library used in the implementation: A. Togo, I. Tanaka, "Spglib: a software library for crystal symmetry search", arXiv:1808.01590 (2018) ([spglib arXiv link](https://arxiv.org/abs/1808.01590)). ## How to install and how to use -Please check the SeeK-path [user guide on ReadTheDocs](http://seekpath.readthedocs.io). +Please check the SeeK-path [user guide on ReadTheDocs](https://seekpath.readthedocs.io). ## Acknowledgements The `SeeK-path` package was mainly developed by [Giovanni Pizzi](https://github.com/giovannipizzi) and is now maintained by [Timo Reents](https://github.com/t-reents). @@ -38,7 +38,7 @@ The code is open-source (licensed with a MIT license, see LICENSE.txt). ## Online service/tool -In the [tools-seekpath](http://www.github.com/materialscloud-org/tools-seekpath/) repository we also provide the code to deploy an online service for the visualization of the band paths and primitive cells of the crystal structures. A live version is hosted on the [Materials Cloud](http://www.materialscloud.org/tools/seekpath/) web portal. +In the [tools-seekpath](https://www.github.com/materialscloud-org/tools-seekpath/) repository we also provide the code to deploy an online service for the visualization of the band paths and primitive cells of the crystal structures. A live version is hosted on the [Materials Cloud](https://www.materialscloud.org/tools/seekpath/) web portal. The following is a screenshot of the selection window: diff --git a/docs/Makefile b/docs/Makefile index c93f2fe..f8dff4c 100755 --- a/docs/Makefile +++ b/docs/Makefile @@ -9,7 +9,7 @@ BUILDDIR = build # User-friendly check for sphinx-build ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1) -$(error The '$(SPHINXBUILD)' command was not found. Make sure you have Sphinx installed, then set the SPHINXBUILD environment variable to point to the full path of the '$(SPHINXBUILD)' executable. Alternatively you can add the directory with the executable to your PATH. If you don't have Sphinx installed, grab it from http://sphinx-doc.org/) +$(error The '$(SPHINXBUILD)' command was not found. Make sure you have Sphinx installed, then set the SPHINXBUILD environment variable to point to the full path of the '$(SPHINXBUILD)' executable. Alternatively you can add the directory with the executable to your PATH. If you don't have Sphinx installed, grab it from https://sphinx-doc.org/) endif # Internal variables. diff --git a/docs/source/conf.py b/docs/source/conf.py index 8436b84..f7bfaeb 100755 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -185,7 +185,7 @@ # If true, an OpenSearch description file will be output, and all pages will # contain a tag referring to it. The value of this option must be the # base URL from which the finished HTML is served. -html_use_opensearch = 'http://seekpath.readthedocs.io' +html_use_opensearch = 'https://seekpath.readthedocs.io' # This is the file name suffix for HTML files (e.g. ".xhtml"). # html_file_suffix = None diff --git a/docs/source/index.rst b/docs/source/index.rst index affa483..2a5855f 100755 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -2,7 +2,7 @@ `SeeK-path` ########### -.. _GitHub: http://github.com/giovannipizzi/seekpath +.. _GitHub: https://github.com/materialscloud-org/seekpath .. toctree:: diff --git a/docs/source/maindoc.rst b/docs/source/maindoc.rst index f1f93f8..f207c40 100644 --- a/docs/source/maindoc.rst +++ b/docs/source/maindoc.rst @@ -120,14 +120,14 @@ AiiDA integration If you use AiiDA, you might be interested to use the wrappers that are provided in AiiDA. The documentation of the methods can be found at -http://aiida-core.readthedocs.io/en/latest/datatypes/kpoints.html +https://aiida-core.readthedocs.io/en/latest/datatypes/kpoints.html -.. _HPKOT paper: http://dx.doi.org/10.1016/j.commatsci.2016.10.015 -.. _JOURNAL LINK: http://dx.doi.org/10.1016/j.commatsci.2016.10.015 +.. _HPKOT paper: https://dx.doi.org/10.1016/j.commatsci.2016.10.015 +.. _JOURNAL LINK: https://dx.doi.org/10.1016/j.commatsci.2016.10.015 .. _arXiv link: https://arxiv.org/abs/1602.06402 -.. _spglib: http://atztogo.github.io/spglib/ -.. _Materials Cloud: http://www.materialscloud.org/tools/seekpath/ +.. _spglib: https://atztogo.github.io/spglib/ +.. _Materials Cloud: https://www.materialscloud.org/tools/seekpath/ .. _docker hub: https://hub.docker.com/r/giovannipizzi/seekpath/ -.. _AiiDA: http://www.aiida.net +.. _AiiDA: https://www.aiida.net .. _spglib arXiv link: https://arxiv.org/abs/1808.01590 diff --git a/pyproject.toml b/pyproject.toml index d2645f3..68f1454 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -35,8 +35,8 @@ dependencies = [ license = {text = "The MIT license"} [project.urls] -Homepage = "http://github.com/giovannipizzi/seekpath" -Downloads = "https://github.com/giovannipizzi/seekpath/archive/v2.2.0.tar.gz" +Homepage = "https://github.com/materialscloud-org/seekpath" +Downloads = "https://github.com/materialscloud-org/seekpath/archive/v2.2.0.tar.gz" [project.optional-dependencies] bz = [ diff --git a/seekpath/hpkot/__init__.py b/seekpath/hpkot/__init__.py index 35923e4..c316477 100644 --- a/seekpath/hpkot/__init__.py +++ b/seekpath/hpkot/__init__.py @@ -10,7 +10,7 @@ .. note:: the list of point coordinates and example POSCAR files in the band_path_data subfolder have been provided by Yoyo Hinuma, Kyoto University, Japan. The POSCARs have been retrieved from - the Materials Project (http://materialsproject.org). + the Materials Project (https://materialsproject.org). """