Update FakeDFT to only import relevant frame #355
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changed the extxyz import in calculate method of FakeDFT to read only the relevant frame from the file instead of the entire file on each call. This makes the FakeDFT method significantly faster.
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The FakeDFT method appeared to be really slow for large input files.
This was because the calculate method in FakeDFT read the entire file each call and then selects the frame it needs.
Here, the calculate method was changed to only read the frame from the file it actually needs.
This speeds up the FakeDFT calculator significantly.