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.
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Please choose the correct category when posting. “Materials Project” is not the correct place for LAMMPS questions.
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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
How to solve this problem?
Don’t use a broken potential file.