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We could also add .exyz to @MolarVerse/pq. I think this would increase compatibility. |
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After some thoughts i would really suggest that we try to introduce ASE dependencies only in the internal parts of the code. Meaning that all API functions are handled by the PQAnalysis to keep it as unified as possible.
For example all reading and wroting stuff... and then internally if we need some functionality by ASE we build our private converter.
@galjos @stkroe
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