QuantumEspresso-VSCode

Enhance your Quantum Espresso experience in VSCode with the QuantumEspresso-VSCode extension! This tool provides dedicated grammar checking and syntax highlighting tailored for Quantum ESPRESSO (QE) input files.

Quantum ESPRESSO is an esteemed suite of open-source computer codes designed for electronic-structure calculations and materials modeling at the nanoscale. This suite is grounded in density-functional theory, plane waves, and pseudopotentials.

For those looking to get started with Quantum ESPRESSO, the Fort

ran package is available for download here.

Features

• Syntax Highlighting: Enjoy clear and intuitive highlighting to make your QE input files visually appealing and readable.
• Grammar Checking: Benefit from automated grammar checks to ensure your QE input files are formatted correctly.
• Supported File Extensions: The extension works seamlessly with QE input files bearing the following extensions:
  • .in
  • .inp
  • .pw
  • .pwi
  • .qe
  • .qei

Requirements

• VSCode version 1.50 or above (recommended).
• Quantum ESPRESSO (QE) version 7.2 or above Fortran package (optional, but enhances overall compatibility and performance).

How to Use

1. Install QuantumEspresso-VSCode from the VSCode Marketplace.
2. Launch or open your QE input files with any of the supported extensions.
3. Experience improved syntax highlighting, grammar checks, and other features!

Special Instructions for PWSCF Input Files

For those working with PWSCF input files, ensure they use the .in, .out extension for optimal functionality. This extension provides enhanced auto-completion and error checks specifically tailored for these files.

Known Issues and Reporting

Encounter an issue? We're here to help!

Report issues on the GitHub repository.

Feedback

For suggestions or feedback, please fill out this form. Alternatively, you can send an email to ritwik.das@outlook.in using the subject line "[QE-VSCode] Feedback".

Licensing, Contribution and Distribution

License

QuantumEspresso-VSCode is licensed under the MIT License, which permits modifications, use, and distribution with appropriate credit. For a full overview, refer to the LICENSE file in the repository's root directory.

Contribution

Interested in contributing? Follow these steps:

1. Fork the Repository: Click 'Fork' at the top right of the GitHub repo to create a copy in your GitHub account.
2. Clone the Repository: Clone your forked repository locally.
3. Create a New Branch: Always create a new branch for your changes.
4. Commit Changes: After modifications or additions, commit the changes to your branch.
5. Submit a Pull Request: Push your changes to your GitHub repo and then open a pull request to the main QuantumEspresso-VSCode repository.

All contributions, whether they're bug fixes, feature additions, or documentation improvements, are greatly appreciated.

Distribution

While the MIT License allows for open distribution of this software, distributors should adhere to the following guidelines:

1. Maintain Original Copyright Notice: Ensure any distribution retains the original copyright notice, license, and associated disclaimers.
2. Declare Changes: If distributing a modified version of the software, clearly state these changes.
3. Ensure Compatibility: Ensure your distribution remains compatible, especially if bundling with other software.
4. Provide a Direct Link: Always link back to the original GitHub repository.
5. Avoid Misrepresentation: Don't imply you're the original creator of the software, and unless given express permission, don't use its name for endorsements or promotions of derived products.

We believe that distributors and contributors play a pivotal role in advancing and refining the software. Adhering to these guidelines ensures clarity and mutual respect in the community.

Enjoy!

Copyright © 2023 - Ritwik Das

All rights reserved under the MIT License.