Comments (2)
Because the #8 issue is active and it is caused by ASE's ase.io read command ( https://gitlab.com/ase/ase/-/issues/169) this issue is somewhat related to this problem.
We used Atoms in the script because of this buggy CIF import. Therefore the yesterday's 332a203 commit is not helping this. We need to put insert atoms and CIF support at the same time and we need to give more information to the user while executing the script.
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We are closing this issue and will continue with #8.
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Related Issues (20)
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