[fix] Allocate wave-function from memory pool #784
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Is is OK to merge it? |
mtaillefumier
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Nov 25, 2022
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Small fix that improves a lot allocation of the host-pinned memory for the wave-functions. I tested it on Au-surf example and the performance is good now.
As a by-product: use std::make_unique in a couple of places and allow to set parallel FFT transformation for the wave functions if mpi grid is of the [n, 1] shape.