Lammps error

pair_style hybrid eam/fs table linear 10547
pair_coeff * * eam/fs pot.W.eam.fs W W
pair_coeff 1 2 table W-He_juslin.dat W He
pair_coeff 2 2 table W-He_juslin.dat He He
mass 1 183.84000
mass 2 4.00260
It has error:Not a valid floating-point number: ‘NaN’ (…/pair_eam_fs.cpp:189)
but when I use the old version it hasn’t happened.

Two things.

  1. Please choose the correct category when posting. “Materials Project” is not the correct place for LAMMPS questions.

  2. This is an error in your pot.W.eam.fs file. You probably had a division by zero or similar in the tool creating the potential file. Thus it contains a NaN where there should be a number. Older versions of LAMMPS would silently replace the NaN with a 0, but we now check more thoroughly.

ok,I got it. I’ll pay attention next time