Dpdata with DFTB+

[zcb-code]

Will DFTB+(https://dftbplus.org/about-dftb) be added to dpdata?

[bhourahine]

Is there a preferred way to connect to external codes? In DFTB+ we generate machine readable tagged files (which we consider to be more robust than parsing the human readable data) but also offer an API and i-PI socket communication.

[njzjz]

I'm refactoring dpdata in #168 to add a plugin system. When it's ready, it will become much easier to add a format without changing the main program of dpdata, and it will be possible to add a format outside dpdata.

[zcb-code]

I'm refactoring dpdata in #168 to add a plugin system. When it's ready, it will become much easier to add a format without changing the main program of dpdata, and it will be possible to add a format outside dpdata.

Thanks. I will try when it is ok.

[bhourahine]

It probably would make sense to look at a plugin for ASE or one of the other integrated frameworks, as this rapidly provides access to many different codes (including DFTB+).