J. George
J. George
Thanks for reporting this. I am not too familiar with the CrystalNN graph objects. We might need to check if someone else has some time to check this. @mkhorton @utf...
@fxcoudert is there a chance that you could provide a fix? @shyuep any suggestions from your side?
@fxcoudert I see. Thanks!
@tschaume maybe you have an idea who to tag as this bug might affect structure graph objects in general.
I see. But it seems that this leads to other bugs. Or: are you saying it is not a bug? In my opinion, the numbers should not change if you...
How about, as a middle ground solution and easy fix, we just make this duplicate detection optional? @fxcoudert would this work for you?
@fxcoudert I agree about the default. Would you be willing to implement this? Otherwise, I fear this could take a while. @shyuep any opinion on this from your side? Also...
@mkhorton I don't have a strong opinion here but maybe you would like to document this once you have access to an IDE.
Anyone from the original developtment team able to comment on this? @jmmshn @mkhorton ?
@shyuep thanks for the help! The new version has solved the issue.