About the difference between reaxff and reax/c

LAMMPS LAMMPS General Discussion
1

Dear all,
I am using the latest version of LAMMPS (2 Aug 2023 ). I have found that the input script examples in reaxff file used the reax/c. And in the mannual, it is said that the reaxff should be used. I have tried the input script in the reaxff example file. The reax/c can be used.
So, what is the difference between the reax/c and new reaxff. Which is recommended. Is the reax/c should be excluded.
Thanks for your help!

Best regards,
Shusen Guo

2

The “reax/c” pair style name is an alias for “reaxff” for backward compatibility. It will be removed eventually, so only “reaxff” should be used.

1 Like
3

Hi, akohlmey.
Thanks for your help!

Best regards.
Shusen Guo