I want to change the potential form, but have to recompile every time

[zzh]

Dear Lammps users:
I’m using the eff package, and I want to change the potential forms, which can’t use the tabulated potential. So, I can only recompile lammps every time I change the potential form, which is inconvenient to try more forms. I wonder if there is some functions to avoid recompile, for example, read the files outside, and I can change the files of potential.

[akohlmey]

@zzh

So, I can only recompile lammps every time I change the potential form, which is inconvenient to try more forms

Which potential form and how?

@zzh

I wonder if there is some functions to avoid recompile, for example, read the files outside, and I can change the files of potential.

Just create a different Pair class under a different name for each modified version. See: 3. Modifying & extending LAMMPS — LAMMPS documentation and 4.7.1. Writing new pair styles — LAMMPS documentation

[zzh]

Thanks for your reply, the potential form in eff is fixed, and there are no parameters in it except the charge, so it is difficult to train the new potential form, you know training a potential requires changing the parameters and even the form of the potential. I will try to add the new potential function form and parameters in eff