Dear LAMMPS users,
In REBO potential for carbon-hydrogen, there is a Pij term which is a bicubic interpolation depends on the number of neighbor atoms (x=C, y=H). But I'm not sure about the sequence of the coefficients implemented in the potential file?
For example in a simple unit cubic square case where the x and y vary from 0 to 1 (shown below), is the aij implemented by rows or by columns?
Thank you so much for your help!
Graduate Student of Materials Science
University of California, Davis