[lammps-users] FW: Is the table interpolation correct?


Also, note that the final line in your tabulation file has an R of 30.099 instead of 30.0 :

27600 30.099 -1.11E-04 2.21E-05

So if you fixed your tabulation file so that the range of r values went from 2.5 to 30, instead of from 2.5 to 30.099, (to agree with your header line) that would also fix the problem your seeing.