Does DeePMD-kit apply any constraints to establish the total force as zero?

[mornida]

Hello,

I utilized DeePMD-kit version 2.1.5 to create a model and conducted molecular dynamics using LAMMPS within a periodic boundary condition. Upon observation, I noticed that the sum of forces acting on atoms is almost zero in every direction.

I have a question about whether DeePMD-kit applies any constraints to establish the total force as zero. If so, should I create training data where the total force is zero?

Thank you for your help.

[njzjz]

The Third Newton's law applies.