Dear Developers,

Thanks for developing and providing this tool to fit PCFF parameters for any structure.

However, the code fails when dealing with a larger-sized system of around 16,000 atoms. The code runs successfully with 2000 to 7000 atoms, but when I create a supercell of twice the dimensions, I get an error saying the following,

No such file or directory: './bonds/old.lmpdat'

I wish to kindly request your assistance on how I can solve this issue.