pair_style table WARNING

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1

Dear lammps users,

I get my table potential files via pair_write command and when I use these table files in my simulation, there is a WARNING: 59 of 3000 force values in table are inconsistent with -dE/dr. I searched the manual but didn't find explanation for this WARNING.

Could you please tell me how to let all force values consistent with -dE/dr? And why do I get this WARNING?

Thank you so much.

Best wishes.
Lily

2

This warning does not automatically mean that a tabulated potential is incorrect, because force values are inconsistent with -dE/dr at inflection points. If the force of the tabulated potential changes sign 59 times there are no errors and you can ignore the warning.

Michal