Change API to be able to pass array(:,:,:) kind of objects #772
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Hi @mtaillefumier ! This might break the cp2k interface in favor of a more Fortran-ish style. I'm testing it now with Exciting and QE. |
mtaillefumier
approved these changes
Oct 6, 2022
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There is also a fix for calculation of IBS forces in LAPW. The radial wave functions should not be recomputed.