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Home Page: https://autosteper.readthedocs.io
License: MIT License
Automated Stepwise Addition Procedure for exohedral fullerene.
Home Page: https://autosteper.readthedocs.io
License: MIT License
Currently, visualization of low-energy isomers heavily depends on the scatter plot. Itβs separated from the Schlegel diagram.
For a better visualization experience, Bokeh is recommended to tighten two kinds of figures together. That is if one hovers over a marker in a scatter plot figure, its Schlegel diagram will pop up. See the example in Chemplot.
As one may notice, in most test folders, there is a nowhere popped from
dpdispatcher.log with 0kB size.
Although this will not affect performance, it's extremely annoying, and currently, I have not found out why this happened.
Let me know if you have any suggestions.
Currently, the auxiliary files in this project is disordered.
Several auxiliary project files need to be changed.
I believe these code optimization could promote AutoSteper to a broader userbase.
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