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Fix broken backwards compatibility of KpointsData introduced by Seekpath implementation #1046

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sphuber opened this issue Jan 15, 2018 · 1 comment
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@sphuber
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sphuber commented Jan 15, 2018

PR #1015 deprecated various methods of KpointsData and exposed a common interface that by default would select to use the Seekpath library. However, the change broke backwards compatibility of the set_kpoints_path method. Originally, for cartesian=False and certain formats of the kpoints path it was not required to have defined a cell, however, the deprecation interface now always raises when the cell is not set.

@giovannipizzi
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Fixed by #1047

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