https://github.com/maina-0/pop-os-container-with-quantum_espresso
Quantum espresso installed in pop-os environment container and other containers
https://github.com/maina-0/pop-os-container-with-quantum_espresso
Last synced: 2 months ago
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Quantum espresso installed in pop-os environment container and other containers
- Host: GitHub
- URL: https://github.com/maina-0/pop-os-container-with-quantum_espresso
- Owner: maina-0
- Created: 2024-05-28T10:46:11.000Z (about 1 year ago)
- Default Branch: main
- Last Pushed: 2025-01-25T14:22:00.000Z (5 months ago)
- Last Synced: 2025-01-25T15:23:26.934Z (5 months ago)
- Size: 2.93 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
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Metadata Files:
- Readme: README.md
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README
### Quantum_Espresso_docker_container
This package is just a simple pop-os container that comes preinstalled with Quantum esspresso and all the required dependancy packages to ensure quantum espresso runs efficiently.
The quantum esspresso has been configured for parallel computation( done by the mpich package).
Why pop-os, well it comes with pre installed nvidia drivers which come in handy in DFT calculations.
Along with everything, I have taken the liberty to also install gnu-plot and xm-grace enjoy.
Incase of any bugs, feel free to reach out via email.