add group style to create an empty group directly
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@ -13,11 +13,13 @@ group command :h3
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group ID style args :pre
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group ID style args :pre
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ID = user-defined name of the group :ulb,l
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ID = user-defined name of the group :ulb,l
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style = {delete} or {region} or {type} or {id} or {molecule} or {variable} or \
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style = {delete} or {clear} or {empty} or {region} or \
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{type} or {id} or {molecule} or {variable} or \
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{include} or {subtract} or {union} or {intersect} or \
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{include} or {subtract} or {union} or {intersect} or \
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{dynamic} or {static} :l
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{dynamic} or {static} :l
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{delete} = no args
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{delete} = no args
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{clear} = no args
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{clear} = no args
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{empty} = no args
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{region} args = region-ID
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{region} args = region-ID
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{type} or {id} or {molecule}
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{type} or {id} or {molecule}
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args = list of one or more atom types, atom IDs, or molecule IDs
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args = list of one or more atom types, atom IDs, or molecule IDs
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@ -99,6 +101,10 @@ e.g. using the "run every"_run.html command if a fix or compute or
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other operation expects the atoms in the group to remain constant, but
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other operation expects the atoms in the group to remain constant, but
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LAMMPS does not check for this.
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LAMMPS does not check for this.
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The {empty} style creates an empty group, which is useful for commands
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like "fix gcmc"_fix_gcmc.html or with complex scripts that add atoms
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to a group.
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The {region} style puts all atoms in the region volume into the group.
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The {region} style puts all atoms in the region volume into the group.
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Note that this is a static one-time assignment. The atoms remain
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Note that this is a static one-time assignment. The atoms remain
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assigned (or not assigned) to the group even in they later move out of
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assigned (or not assigned) to the group even in they later move out of
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@ -188,6 +188,12 @@ void Group::assign(int narg, char **arg)
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if (domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
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if (domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
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mask[i] |= bit;
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mask[i] |= bit;
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// create an empty group
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} else if (strcmp(arg[1],"empty") == 0) {
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; // nothing to do here
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// style = type, molecule, id
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// style = type, molecule, id
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// add to group if atom matches type/molecule/id or condition
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// add to group if atom matches type/molecule/id or condition
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