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materialscloud-org / tools-phonon-dispersion

Visualize interactively phonon dispersions and their eigenvectors
https://www.materialscloud.org/work/tools/interactivephonon
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use tools-barebone v1.1.3 #7

Closed elsapassaro closed 3 years ago

elsapassaro commented 3 years ago

Upgrade tools-barebone image to v1.1.3

elsapassaro commented 3 years ago

The tools-phonon-dispersion image installs qe-tools v1.1.4 for parsing QE input files. In tools-barebone instead we are using v2.0.0rc2. We could just use the newer version of qe-tools and adapt the parser in tools-phonon-dispersion. Or we can use the tools-barebone parser but at first sight it seems that for the phonon-dispersion tools there is more information that need to be extracted. @giovannipizzi I'll check how to extract all the info needed from the output of the tools-barebone parser and I'll ping you when the PR is ready

elsapassaro commented 3 years ago

@giovannipizzi this is ready to be reviewed