fix(executive): reject placeholder unit cells in symexp - #513
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JarrettSJohnson wants to merge 2 commits into
Open
fix(executive): reject placeholder unit cells in symexp#513JarrettSJohnson wants to merge 2 commits into
JarrettSJohnson wants to merge 2 commits into
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Summary
Fixes #509 by preventing
symexpfrom generating symmetry mates for invalid or placeholder unit cells, such as the 1 × 1 × 1 ÅP 1cells in 8GHV and 9HFL. Normal crystallographic expansion is unchanged.Testing