Code confusion

[Yihouyihou]

Hi ! I am confused with the parameter “f_atoms” . This variable appears in "step5_prun_dump_neg_graphs.sh" and I have no idea with how it work on the project. I could not find this parameter in other .py documents. It is not one of the parameters set in the "cmd_args.py", so I wonder where the f_atoms is used in this project. Thanks for your helping !

[Hanjun-Dai]

sorry for the confusion.

'f_atoms' is an arg that specifies the file path to the atom_list.txt, which specifies the list of atoms appeared in the dataset.