set Lbar dir default to Lin, handle case with n_exc_inout=-1#97
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rreho wants to merge 1 commit intoyambo-code:excph-parallelfrom
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set Lbar dir default to Lin, handle case with n_exc_inout=-1#97rreho wants to merge 1 commit intoyambo-code:excph-parallelfrom
rreho wants to merge 1 commit intoyambo-code:excph-parallelfrom
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I tested this branch and it works nicely.
I suggest minor changes related to handling the default value of n_exc and printing only for rank=0 information related to loading wfc and writing Dmats.
Notably, for the system I tested the parallel version really helped as I could split the memory in different tasks.
I would also prefer to add a
tqdmbar in the for loop that runs over qphonon inexciton_phonon_mateleme_iQbut that is just a matter of preferences.