atom_modify.txt
f25713e3b02dlammm-devel

atom_modify.txt
View Options

			"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

			:link(lws,http://lammps.sandia.gov)
			:link(ld,Manual.html)
			:link(lc,Section_commands.html#comm)

			:line

			atom_modify command :h3

			[Syntax:]

			atom_modify keyword value ... :pre

			one or more keyword/value pairs may be appended :ulb,l
			keyword = {map} :l
			{map} value = {array} or {hash} :pre
			:ule

			[Examples:]

			atom_modify map hash :pre

			[Description:]

			Modify properties of the atom style selected within LAMMPS.

			The {map} keyword determines how atom ID lookup is done for molecular
			problems. Lookups are performed by bond (angle, etc) routines in
			LAMMPS to find the local atom index associated with a global atom ID.
			When the {array} value is used, each processor stores a lookup table
			of length N, where N is the total # of atoms in the system. This is
			the fastest method for most simulations, but a processor can run out
			of memory to store the table for very large simulations. The {hash}
			value uses a hash table to perform the lookups. This method can be
			slightly slower than the {array} method, but its memory cost is
			proportional to N/P on each processor, where P is the total number of
			processors running the simulation.

			[Restrictions:]

			This command must be used before the simulation box is defined by a
			"read_data"_read_data.html or "create_box"_create_box.html command.

			[Related commands:] none

			[Default:]

			By default, atomic (non-molecular) problems do not allocate maps.
			For molecular problems, the option default is map = array.