Quantum Visualization Interacting Toolkit for Ab-initio Simulations
QuantumVITAS (Quantum Visualization Interacting Toolkit for Ab-initio Simulations) is a graphical user interface designed for ab-initio simulation software Quantum ESPRESSO, aiming at making ab-initio simulations easily accessible and intuitively controllable in various operating systems. It integrates input file generation, calculation job control, result analysis and data managment into a user interface. In the future we might integrate other engines besides Quantum ESPRESSO. For more information, feel free check out my introduction video.
The project is actively evolving, and we have offered the first three early access releases with detailed feature lists. We appreciate any bug report or suggestion for feature implementation for the next step. A guide of download and quick start can be found in the official website.
Please refer to the release page for a detailed feature list. We would like to highlight the following features below:
Copyright (c) 2020 Haonan Huang.
QuantumVITAS (Quantum Visualization Interactive Toolkit for Ab-initio Simulations) is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or any later version.
QuantumVITAS is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with QuantumVITAS. If not, see https://www.gnu.org/licenses/gpl-3.0.txt.