Fixed the spglib symmetrization to work with spglib beyond 2.2#117
Merged
mesonepigreco merged 3 commits intomasterfrom Oct 3, 2025
Merged
Fixed the spglib symmetrization to work with spglib beyond 2.2#117mesonepigreco merged 3 commits intomasterfrom
mesonepigreco merged 3 commits intomasterfrom
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This new fix should allow CellConstructor to work with more recent versions of SPGLib.
We defined a new function
get_spglib_cell, which is required for use with newer versions ofspglib, as they dropped support for calling their subroutine using ASE atoms after version 2.2.Should fix #110