xy_wang

Thank you for your guidance. I think I have figured out the 3 questions.Thank you again. Best wish to you ！

Thank you for your reply. With your help, the problem we encountered has been solved. Thank you for providing such an interesting package!

Dear Felix, Thank you for providing us with such useful software! The "add element" problem we encountered before has been solved. I have three questions for you. 1) I don't quite understand the statement "python processing.py bonds.tatb -n 0 -i 1:6 -i 2:1 -i 3:8 -norec 100" -n I don't quite understand, the readme file explains "ALL timesteps which have been written to 'bonds.tatb" Does this timestep refer to the timestep recorded in the bond.tatb file or the timestep set by the in.reax file,(0.1fs)...

Hello Felix Scgmalz, Thank you for providing such useful software. I have encountered the following problems while using it. I am using ChemTraYzer_2.0 version. My research system includes elemental fluorine. In the data file, #1 is carbon, #2 is oxygen, #3 is fluorine, and #4 is hydrogen. The error is reported as follows. ERROR: some elements are not supported by the internal valence list. Please extend the list of supported elements by adding to Processing.Val I'm not quite sure how to add the...