Taillefumier Mathieu

I am not aware of any specific term due to SO interactions for the forces and stress. Some reference needed.

no worries. I will have a look at it

it is fine by me and would simplify a lot handling new versions etc... And remove confusion for the user. So I am all in with a twist. Right now...

The develop branch can be useful for instance when you refactor things that touch the core of the code but you do not have enough test coverage of the new...

To be also noted. The linux kernel does not have official devel branch but they have a separate linux-next repository that mimic the devel branch to some extend.

It is possible to obtain the same model parameters with deepmd provided that - TensorFlow is set up properly at runtime (@asedova pointed this out already) - DeepMD forces and...

It is not that simple to use the cp2k upf parser. The parser is only implementing half of the information we need in SIRIUS which makes it unusable in practice....

The data directory will be installed by default in `myprefix/share/cp2k`. You can alter it using the conventional cmake syntax if you wish.

> * [x] Enable PR trigger > > * [ ] Remove `-Wall` flags > > * [ ] Speed up the compiler > > * One major bottleneck is...

> What are the plans for the `Makefile`? I want to drop the custom `FindLibSPG.cmake` and `spglib_f08.F` in favor of upstream interface. I can do the former without affecting `Makefile`,...