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@annahehn annahehn commented Jun 5, 2022

Writing of vibrational modes for NewtonX interface

@oschuett oschuett merged commit a1b2a5c into cp2k:master Jun 6, 2022
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oschuett commented Jun 6, 2022

It would be great if we could setup a test for Newton-X, like we have to ASE, AiiDA, i-PI, and Gromacs. Unfortunately, there seems to be no way to download Newton-X without filling this form.

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annahehn commented Jun 8, 2022 via email

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