Dear Authors of LAMMPS,
I run lammps with the airebo potential. I wonder weather the subroutines for the tricubic spline of piRC in airebo potential has some bugs.
To make things simple, I have considered the piRC sipline for an isotropically stretched graphene,in which the piRC can be reduced into piRC=F(2fc,2fc,1+8fc*fc), where fc is the cutoff function. Thus I can extract the spline subroutines of airebo from lammps source code and draw the curves of F,dFdx,dFdy and dFdz vs bond length with the parameters given in CH.airebo file.
I get curves which have some unsmooth and enven zigzag parttens at the range of bond length between 1.7 and 2.0 angstroms.
Yours sincerely
zehui
By the way, the version of lammps I use is lammps-9Nov11.
The following is the data with the columns being r, F, dFdx, dFdy, dFdz repectively. You can import it into some data-plotting software
to plot it.
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