forked from lijiext/lammps
51 lines
1.5 KiB
Plaintext
51 lines
1.5 KiB
Plaintext
"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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atom_modify command :h3
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[Syntax:]
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atom_modify keyword value ... :pre
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one or more keyword/value pairs may be appended :ulb,l
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keyword = {map} :l
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{map} value = {array} or {hash} :pre
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:ule
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[Examples:]
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atom_modify map hash :pre
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[Description:]
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Modify properties of the atom style selected within LAMMPS.
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The {map} keyword determines how atom ID lookup is done for molecular
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problems. Lookups are performed by bond (angle, etc) routines in
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LAMMPS to find the local atom index associated with a global atom ID.
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When the {array} value is used, each processor stores a lookup table
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of length N, where N is the total # of atoms in the system. This is
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the fastest method for most simulations, but a processor can run out
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of memory to store the table for very large simulations. The {hash}
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value uses a hash table to perform the lookups. This method can be
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slightly slower than the {array} method, but its memory cost is
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proportional to N/P on each processor, where P is the total number of
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processors running the simulation.
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[Restrictions:]
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This command must be used before the simulation box is defined by a
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"read_data"_read_data.html or "create_box"_create_box.html command.
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[Related commands:] none
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[Default:]
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By default, atomic (non-molecular) problems do not allocate maps.
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For molecular problems, the option default is map = array.
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