eljost / pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
GNU General Public License v3.0
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Overlap.render_cdd_cube() seems broken #281

Open eljost opened 9 months ago

eljost commented 9 months ago

Describe the bug Jmol seems to hang indefinitely.

To Reproduce Set cdds: render in the calc section.