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Merge pull request #166 from superstar54/add_xps_app
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Add AiiDAlab-QE XAS App
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tsthakur authored May 15, 2024
2 parents d46523e + 27acbf7 commit fad2efb
Showing 1 changed file with 24 additions and 4 deletions.
28 changes: 24 additions & 4 deletions apps.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -44,11 +44,11 @@ aiidalab-qe:
description: |
The Quantum ESPRESSO (QE) app is a user-friendly, web-based interface within AiiDAlab. It empowers users to conduct and streamline first-principles calculations by leveraging AiiDA’s powerful workflows implemented in the AiiDA Quantum ESPRESSO plugins. With this app researchers can calculate material properties (e.g., bands structure) on the web browser directly without writing any code.
logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/main/docs/source/_static/images/aiidalab_qe_logo.png
state: development
state: stable
title: Quantum ESPRESSO AiiDAlab app
external_url: https://github.com/aiidalab/aiidalab-qe
documentation_url: https://aiidalab-qe.readthedocs.io/
version: '23.10'
version: 24.04.0
video_installation_url: https://drive.google.com/file/d/1TjzFB9SEkFn4E_TaJoBB3FMVJhhiy8BR/preview
video_demonstration_url: https://drive.google.com/file/d/1-Cxx1agmyHtkfmk-Rb5-lQEGXh9cCDG8/preview
aiidalab-qe-xas:
Expand All @@ -65,13 +65,33 @@ aiidalab-qe-xas:
An extension to the AiiDALab-QE app for DFT calculations with Quantum
ESPRESSO for computing X-ray absorption near-edge spectra (XANES).
logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/main/docs/source/_static/images/aiidalab_qe_logo.png
state: development
state: stable
title: AiiDAlab-QE XAS App
external_url: https://github.com/aiidalab/aiidalab-qe
documentation_url: https://aiidalab-qe.readthedocs.io/howto/xas.html
version: 24.04.02a
version: 24.04.0
video_installation_url: https://drive.google.com/file/d/1TjzFB9SEkFn4E_TaJoBB3FMVJhhiy8BR/preview
video_demonstration_url: https://drive.google.com/file/d/1aoMfAabynAbkXkoktFBJrsKKxTtrFuHs/preview
aiidalab-qe-xps:
categories:
- technology-aiida
- technology-aiidalab
- quantum
git_url: https://github.com/aiidalab/aiidalab-qe.git
metadata:
authors: X. Wang, M. H. A. Bertràn, P. N. O. Gillespie, N. Marzari, E. Molinari, D. Prezzi, G. Pizzi
affiliations: Paul Scherrer Institute, CNR-NANO S3, Università di Modena e Reggio Emilia, Ecole Polytechnique Fédérale de Lausanne
description: |
An extension to the AiiDALab-QE app for DFT calculations with Quantum
ESPRESSO for computing X-ray photoelectron spectroscopy (XPS).
logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/main/docs/source/_static/images/aiidalab_qe_logo.png
state: stable
title: AiiDAlab-QE XPS App
external_url: https://github.com/aiidalab/aiidalab-qe
documentation_url: https://aiidalab-qe.readthedocs.io/howto/xps.html
version: 24.04.0
video_installation_url: https://drive.google.com/file/d/1TjzFB9SEkFn4E_TaJoBB3FMVJhhiy8BR/preview
video_demonstration_url: https://drive.google.com/file/d/1IE0pNWgkBazP3KxN_wDvbvKtT4vVxn9P/preview
optimade-web:
categories:
- technology-materials-cloud
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