[enhancement] Augmentation operator on GPUs

[toxa81]

TODO:

• [x] forces
• [x] stress
• [x] charge density augmentation
• [x] D-matrix construction
• [x] add control input parameter for the G-vector chunk size
• [x] ~generate Rlm for a block of G-vectors, then use for all atom types~
• [x] use streams to compute augmentation for density and magnetisation in parallel
• [x] use streams to compute D-matrix in parallel

With this changes it is now possible to run the large cutoff simulations.

[toxa81]

ci run

[toxa81]

ci try

[toxa81]

Modify the code to run large plane-wave cutoffs. In this case even local number of G-vectors has to be split in chunks such that augmentation operator can fit in the GPU memory.

• augmentation operator was simplified; prepare() and dismiss() functions were removed
• augmentation operator derivative class was incorporated in the Augmentation_operator class