Push get_free_energy_hessian_dev() and environment#422
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ManexAlkorta wants to merge 3 commits into
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Now openmp_dep flags are added to the meson.build, and fortran parallelization works fine |
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Function under development. Employs a wave-vector classification of polarization-vector to write the expression of the free energy hessian matrix into smaller pieces. Those pieces have wave-vector q indices, where only the symmetry independent elements are computed (same for force-constants). It significantly outperforms previous function in required RAM and time in dense q-grids.
This pull request comes with a parallel pull request in cellconstructor.
Paralelization works with the old installation (old_setup.py).