Integrate with AtomsBase

[mfherbst]

Hi Sunny team

In the JuliaMolSim community we are developing a package called AtomsBase for managing atomistic structures in Julia in a uniform way. Would be great to have you on board as a supporting software as well to increase interoperability!

One immediate benefit could be AtomsIO, which supports reading standard file formats for atomistic structures.

Let me know what you think, open issues in AtomsBase if you are missing features for your use case and of course we are happy to help and discuss 😄

[kbarros]

Hi Michael, we'd definitely like to talk with you. Common data formats would be one positive outcome. Looking further ahead, one could imagine using DFTK as a driver to calculate exchange interactions between spins, or classical simulations of coupled phonons and spins. Is there a good time to schedule a call?

[mfherbst]

Happy to discuss, I would prefer to discuss the time in an email thread (helps my planning). Feel free to email me about this.