update documentation (0c52a7ed) · Commits · 郑智淋 / lammps

doc/src/dump.txt

+2 −1

Original line number	Diff line number	Diff line
		@@ -21,7 +21,8 @@ dump ID group-ID style N file args :pre

		ID = user-assigned name for the dump :ulb,l
		group-ID = ID of the group of atoms to be dumped :l
		style = {atom} or {atom/gz} or {atom/mpiio} or {cfg} or {cfg/gz} or {cfg/mpiio} or {custom} or {custom/gz} or {custom/mpiio} or {dcd} or {h5md} or {image} or {local} or {molfile} or {movie} or {netcdf} or {netcdf/mpiio} or {vtk} or {xtc} or {xyz} or {xyz/gz} or {xyz/mpiio} :l
		style = {atom} or {atom/gz} or {atom/mpiio} or {cfg} or {cfg/gz} or
		{cfg/mpiio} or {custom} or {custom/gz} or {custom/mpiio} or {dcd} or {h5md} or {image} or {local} or {local/gz} or {molfile} or {movie} or {netcdf} or {netcdf/mpiio} or {vtk} or {xtc} or {xyz} or {xyz/gz} or {xyz/mpiio} :l
		N = dump every this many timesteps :l
		file = name of file to write dump info to :l
		args = list of arguments for a particular style :l

+17 −0

Original line number	Diff line number	Diff line
		@@ -50,6 +50,7 @@ keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fi
		{sfactor} arg = coordinate scaling factor (> 0.0)
		{thermo} arg = {yes} or {no}
		{tfactor} arg = time scaling factor (> 0.0)
		{units} arg = {yes} or {no}
		{sort} arg = {off} or {id} or N or -N
		off = no sorting of per-atom lines within a snapshot
		id = sort per-atom lines by atom ID
		@@ -620,6 +621,21 @@ threshold criterion is met. Otherwise it is not met.

		:line

		The {units} keyword only applies to the dump {atom}, {custom}, and
		{local} styles (and their COMPRESS package versions {atom/gz},
		{custom/gz} and {local/gz}). If set to {yes}, each dump file will contain
		two extra lines at the very beginning with:

		ITEM: UNITS
		\<units style\> :pre

		This will output the current selected "units"_units.html style
		to the dump file and thus allows visualization and post-processing
		tools to determine the choice of units of the data in the dump file.
		The default setting is {no}.

		:line

		The {unwrap} keyword only applies to the dump {dcd} and {xtc} styles.
		If set to {yes}, coordinates will be written "unwrapped" by the image
		flags for each atom. Unwrapped means that if the atom has passed through
		@@ -924,6 +940,7 @@ scale = yes
		sort = off for dump styles {atom}, {custom}, {cfg}, and {local}
		sort = id for dump styles {dcd}, {xtc}, and {xyz}
		thresh = none
		units = no
		unwrap = no :ul

		acolor = * red/green/blue/yellow/aqua/cyan