openeuler/multiwfn repository overview

⁠Quick reference

• The official multiwfn docker image.

• Maintained by: openEuler CloudNative SIG⁠.

• Where to get help: openEuler CloudNative SIG⁠, openEuler⁠.

⁠multiwfn | openEuler

Multiwfn is an extremely powerful program for realizing electronic wavefunction analysis, which is a key ingredient of quantum chemistry. Multiwfn is developed by Tian Lu and coworkers, and is free of charge, open-source, high-efficient, very user-friendly and flexible, it can perform a very wide range of wavefunction-based analyses.

⁠Supported tags and respective Dockerfile links

The tag of each multiwfn docker image is consist of the version of multiwfn and the version of basic image. The details are as follows

⁠Usage

docker pull openeuler/multiwfn:{Tag}
docker run --rm openeuler/multiwfn:{Tag} Multiwfn_noGUI

⁠Question and answering

If you have any questions or want to use some special features, please submit an issue or a pull request on openeuler-docker-images⁠.