forked from lijiext/lammps
57 lines
1.9 KiB
Plaintext
57 lines
1.9 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,Commands_all.html)
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:line
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reset_ids command :h3
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[Syntax:]
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reset_ids :pre
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[Examples:]
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reset_ids :pre
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[Description:]
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Reset atom IDs for the system, including all the global IDs stored
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for bond, angle, dihedral, improper topology data. This will
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create a set of IDs that are numbered contiguously from 1 to N
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for a N atoms system.
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This can be useful to do after performing a "delete_atoms" command for
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a molecular system. The delete_atoms compress yes option will not
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perform this operation due to the existence of bond topology. It can
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also be useful to do after any simulation which has lost atoms,
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e.g. due to atoms moving outside a simulation box with fixed
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boundaries (see the "boundary command"), or due to evaporation (see
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the "fix evaporate" command).
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Note that the resetting of IDs is not really a compression, where gaps
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in atom IDs are removed by decrementing atom IDs that are larger.
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Instead the IDs for all atoms are erased, and new IDs are assigned so
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that the atoms owned by an individual processor have consecutive IDs,
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as the "create_atoms"_create_atoms.html command explains.
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NOTE: If this command is used before a "pair style"_pair_style.html is
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defined, an error about bond topology atom IDs not being found may
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result. This is because the cutoff distance for ghost atom
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communication was not sufficient to find atoms in bonds, angles, etc
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that are owned by other processors. The "comm_modify
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cutoff"_comm_modify.html command can be used to correct this issue.
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Or you can define a pair style before using this command. If you do
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the former, you should unset the comm_modify cutoff after using
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reset_ids so that subsequent communication is not inefficient.
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[Restrictions:] none
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[Related commands:]
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"delete_atoms"_delete_atoms.html
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[Default:] none
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