JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-fleur.readthedocs.io
Other
14 stars 7 forks source link

Replace ``BaseRestartWorkChain`` with implementation in ``aiida-core`` #131

Closed janssenhenning closed 3 years ago

janssenhenning commented 3 years ago

At the moment the used implementation of BaseRestartWorkChain is inside the aiida-fleur repository. However, there is an implementation of this workchain in aiida-core. At some point we should probably switch to the one in aiida-core.

Is anyone aware of major differences between the two implementation (besides slighly different variable/method names)

Tseplyaev commented 3 years ago

No, I think there are should be no large differences. This is due to historical reasons: we copied this function from QE before it became available in aiida-core. After that the function itself changed a bit in aiida-core, but I had never time to rewrite this in aiida-fleur