#1 Changelog for Version 6.0 by soumyajyotih 05.02.2022 13:16

Hello Developers,

Is there any change.log between version 6.0 and version 5.1? It'll be nice to know the change.log between the version.

#2 RE: Changelog for Version 6.0 by Gregor 08.02.2022 17:19

Unfortunately there is no change log. If you are interested in details, you can, however, have a look at the commits since the last release: https://iffgit.fz-juelich.de/fleur/fleur/-/commits/release

I think, for the user there are no major differences in this release. There are some bug fixes and some small additional features. We mainly did the release now because there was an external
requirement to do so. At some point the user documentation will get adapted to the changes in this release, partially this has already happened.

A major progress has been achieved in the parallelization scaling of hybrid functionals calculations on large supercomputers. But at the moment only the PBE0 hybrid functional can be used.

#3 RE: Changelog for Version 6.0 by Gregor 30.03.2022 16:22

The progress in the parallelization scaling for the Hybrid functionals is illustrated in that publication: https://doi.org/10.3389/fmats.2022.851458

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