Jingyi Yu

Hi Felix, Thank you very much for your reply and suggestions! The error of segmentation fault has been solved by reinstallation of CTY. However, I still have no idea about how to deal with the output file of more complicated system, like C/H/O/Ni catalytic pyrolysis system that I mentioned before. Because the reaxff method has a very good prospect in this field, it is hoped that there will be some tools that can help researchers analyze data of complex systems. At present, I have no problem using...

Felix, Thanks a lot for your attention! My system is an organic catalytic pyrolysis system containing C, H, O, and Ni atoms. The largest structure may have 500+ atoms, which may indeed exceed the limit. What else can I do in this situation?

Hi Felix, Why do I get a "Segmentation fault (core dumped)" error when I run the processing.py file after extending the nickel element? How to solve this problem?

Hi Felix, I have noticed that the event counts of few reactions in the "reac.reac.tab" file shows "-1". So what does the negative value mean? Is there a problem with my input file?