ispg-group / aiidalab-ispg

ATMOSPEC: ab initio UV/vis spectroscopy for everyone
MIT License
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Include conformer cross-sections in TSV download #237

Closed danielhollas closed 3 months ago

danielhollas commented 3 months ago

Should solve #236, but the current implementation is limited --- the cross sections of individual conformers will be downloaded only when they are displayed in the bokeh Figure when user clicks on "Show conformers". I will deal with this limitation in a separate PR since it will require a bit of code refactoring.