Support of other calculator about aiida-phonopy HOT 4 CLOSED

I don't have enough resource to work on it now.

from aiida-phonopy.

Thanks for the quick reply.
I have to discuss with my company if I am free to submit code. If so I would be willing to push some changes to support QE.
So far most of my solution is quite brute-forced and based on catching exceptions. Is that fine for you or do you plan on a more structured interface?

Bests,
Benedikt

from aiida-phonopy.

Then, we should start with the design of the interface. The parameters etc are not carefully chosen (mostly just pushing into Dict), and they are written just to work for me. I am not a user of QE. So the test is difficult. These are issues for me to improve aiida-phonopy. If you want to change aiida-phonopy, I appreciate if you do it little-by-little so that I can review. In addition, emerging DFT codes is also under the development in AiiDA team. So we have to avoid working duplicated stuffs.

from aiida-phonopy.

I think supporting other calculators are on the way by the work of @bastonero. So I will close this issue. @BeZie, please discuss with @bastonero if you want to know more details.

from aiida-phonopy.