Does anyone (Pieter?) know how to use kspace_style ewald/n with LJ? Jeff G.
tried the following pair_styles and all gave errors:
Does anyone (Pieter?) know how to use kspace_style ewald/n with LJ? Jeff G.
tried the following pair_styles and all gave errors:
you'd have to use "lj/coul".
"invalid pair style error" is usually an indication that
the code has been build, _without_ the corresponding pair
style included, i.e. in this case a "make yes-user-ewaldn"
and a recompile would be required...
cheers,
axel.
Thanks Axel. We had indeed forgotten to add the ewaldn package. Jeff, try it
again.