git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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read_dump command :h3
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[Syntax:]
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read_dump filename N col1 col2 ... keyword value ... :pre
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filename = name of dump file to read snapshot from :ulb,l
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N = timestamp to read in :l
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col1, col2, ... = {x} or {y} or {z} or {xs} or {ys} or {zs} or {xu} or {yu} or {zu} or {ix} or {iy} or {iz} or {vx} or {vy} or {vz} :l
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zero or more keyword/value pairs may be appended :l
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keyword = {procs} or {box} :l
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{procs} value = P
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P = number of processors that wrote out dump file
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{box} value = {reset} or {ignore} :pre
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:ule
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[Examples:]
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read_dump dump.run 1000 x y z
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read_dump dump.poly.% 50000 xs ys zs vx vy vz procs 100 :pre
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[Description:]
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Read a snapshot at timestamp N from the specified dump file and use
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the specified per-atom column information from the snapshot to
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overwrite current per-atom values. The dump file must be in the
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native LAMMPS format, as produced by an {atom} or {custom} style
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"dump"_dump.html command.
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The specified filename can contain the "%" wild-card character. This
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means that individual dump files were written by each of the P
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processors the original simulation was running on, where "%" is
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replaced by the processor ID from 0 to P-1. If the current simulation
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is not running on the same number of processors, then the {procs}
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keyword must be used to specify what P was in the original simulation,
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so that the current simulation knows which files to read. If the "%"
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wild-card character is not used, or the current simulation is running
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on the same number of processors, then the {procs} keyword should not
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be used.
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{N} is the timestamp of the snapshot that will be read from the dump
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file. The file will be scanned until the snapshot with that timestamp
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is found. The timestep of the current simulation will not be reset to
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{N}. Use the "reset_timestep"_reset_timestep.html command if this is
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desired.
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The dump file snapshot defines a simulation box size via its ITEM: BOX
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BOUNDS field. If the setting for the optional {box} keyword is
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{ignore} then the box size settings are ignored. If the setting for
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the {box} keyword is {reset} then the current simulation box size is
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reset to the values in the dump snapshot. Note that due to the finite
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precision at which numeric values are written into a dump file, box
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sizes values which are identical to the current box size may be read
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in as slightly different values. Hence you should not reset the box
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size if you expect it to be the same.
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The dump file snapshot defines the number of atom in the snapshot via
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its ITEM: NUMBER OF ATOMS field. If this number does not match the
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number of atoms in the current simulation, then a WARNING is printed.
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The dump file snapshot defines a list of per-atom quantities via its
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ITEM: ATOMS field. Any of the quantities listed above may be
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specified, in which case that per-atom quantity is read from the dump
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file and overwrites the corresponding current quantity. See the
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"dump"_dump.html command for an explanation of these quantities.
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Atom IDs must also appear in the dump file. They are used to map
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read-in atoms to current atoms one by one. Note that if some current
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atoms do not appear in the dump file, their values are not
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overwritten. Likewise if atom IDs appear in the dump file which do
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not exist in the current simulation, their read-in values are ignored.
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The various flavors of atom coordinates that can appear in the dump
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file ({x} or {xs} or {xu}) are all converted into internal LAMMPS
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coordinates (equivalent to {x}). Each atom is also remapped to the
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current simulation box, if it is outside periodic boundaries. Note
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that the current simulation box size may have been reset to the dump
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snapshot box size before this takes place.
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IMPORTANT NOTE: Image flags from the dump file ({ix}, {iy}, {iz})
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should only be read-in if the corresponding coordinates are of the {x}
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or {xs} form. In this case, the remap of each atom to the (new)
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periodic box should update its read-in image flags correctly. If the
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read-in coordinates are of the {xu} form, then no corresponding image
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flags should be read-in. This is because the image flags are
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initialized to 0 when {xu} style coordinates are read. The remap of
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atoms to the (new) periodic box should update the re-initialized image
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flags correctly.
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[Restrictions:] none
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[Related commands:]
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"read_data"_read_data.html, "read_restart"_read_restart.html
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[Default:]
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The option defaults are box = ignore.
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