README
66a6c37c996clammm-master-deprecated

README
View Options

			This package implements 3 commands which can be used in a LAMMPS input
			script: pair_style lj/coul, pair_style buck/coul, and kspace_style
			ewald/n.

			The "kspace_style ewald/n" command is similar to standard Ewald for
			charges, but also enables the Lennard-Jones interaction, or any 1/r^N
			interaction to be of infinite extent, instead of being cutoff. LAMMPS
			pair potentials for long-range Coulombic interactions, such as
			lj/cut/coul/long can be used with ewald/n. The two new pair_style
			commands provide the modifications for the short-range LJ and
			Buckingham interactions that can also be used with ewald/n.

			Another advantage of kspace_style ewald/n is that it can be used with
			non-orthogonal (triclinic symmetry) simulation boxes, either for just
			long-range Coulombic interactions, or for both Coulombic and 1/r^N LJ
			or Buckingham, which is not currently possible for other kspace styles
			such as PPPM and ewald.

			See the doc pages for these commands for details.

			The person who created these files is Pieter in' t Veld while at
			Sandia. He is now at BASF (pieter.intveld at basf.com). Contact him
			directly if you have questions.