Hi all,
I suspect that my potentials are not working properly, so I would
like to check the interaction between an arbitrary pair of atoms and between
different types atoms? I must admit that I haven’t read the full manual.
Gerald
Hi all,
I suspect that my potentials are not working properly, so I would
like to check the interaction between an arbitrary pair of atoms and between
different types atoms? I must admit that I haven’t read the full manual.
Gerald
If it's a pair potential, the pair_write command will tabulate
it to a file.
Steve