CPMD Developer Community meeting

CPMD-code / CPMD

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

MIT License

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CPMD Developer Community meeting #7

Open kloeffelt opened 1 year ago

kloeffelt commented 1 year ago

As suggested by @foeroyingur lets try to meet!

https://terminplaner6.dfn.de/en/p/7fe86592c47e7fd1d034b8db279f561d-93544

Best Tobias

g-mathias commented 1 year ago

Topics could be

welcome / introduction / goals
setup of regular (monthly?) meetings.
mailing lists / teams
review of pull requests
CI #5

foeroyingur commented 1 year ago

Maybe not the highest priority but we should at some point also discuss the distribution of pseudopotentials

g-mathias commented 1 year ago

There is quite a collection of PPs in the regtests. Maybe they could be distributed with the addons or as a separate repo.

foeroyingur commented 1 year ago

If I understood correctly, there are license issues that prevent the distribution of the PPs under the CPMD GitHub organization so perhaps it was not intentional that they are included in the regtests