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small bugs #37

@LauriKurki

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@LauriKurki

While doing updates for the upcoming changes I spotted some small bugs that should be fixed. I'm trying to keep the commit history in that branch at least somewhat clean so these are here for a separate PR. I will update this if more stuff come up.

  • function loadAtoms in basUtils.py should check if a line is invalid, e.g., lattice constant on the second line

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