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Nicolas Tancogne-Dejean requested to merge projector_matrix_rkb into main Feb 20, 2024

Description

Treat the RKB pseudopotentials using the projector matrix formalism.

With these changes, we can now treat all the pseudopotentials in a batchified. This also allows using RKB pseudopotentials on GPUs for instance.

News snippet

Optimization for RKB pseudopotentials.

Checklist

I have checked that my code follows the Octopus coding standards
I have added tests for all the new features added in this request.

Edited Feb 20, 2024 by Nicolas Tancogne-Dejean