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.. index:: reset
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reset command
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=============
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Syntax
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""""""
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.. code-block:: LAMMPS
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reset sub-command keyword values ...
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* sub-command = *atom_ids* or *image_flags* or *mol_ids*
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* zero or more keyword/value pairs may be appended depending on sub-command
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Examples
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""""""""
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.. code-block:: LAMMPS
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reset atom_ids
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reset image_flags all
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reset mol_ids all
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Description
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"""""""""""
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.. versionadded:: TBD
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The *reset* command provides a number of sub-commands that reset
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selected atom properties like atom IDs, molecule IDs, or image flags
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according to selected algorithms. Those are often useful when the
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simulated system has undergone some significant modifications like
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adding or removing atoms or molecules, joining data files, changing
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bonds, or diffusion. Follow the links listed below to see the
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documentation for individual sub-commands.
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- :doc:`reset_atom_ids`
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- :doc:`reset_image_flags`
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- :doc:`reset_mol_ids`
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Defaults
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""""""""
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none
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@ -28,6 +28,8 @@ Examples
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Description
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"""""""""""
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.. versionchanged:: TBD
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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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@ -23,6 +23,8 @@ Examples
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Description
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"""""""""""
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.. versionadded:: TBD
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Reset the image flags of atoms so that molecular fragments with atoms in
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different periodic images retain their geometry. This avoids
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inconsistent image flags resulting from resetting them all to zero.
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@ -33,6 +33,8 @@ Examples
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Description
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"""""""""""
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.. versionchanged:: TBD
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Reset molecule IDs for a group of atoms based on current bond
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connectivity. This will typically create a new set of molecule IDs
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for atoms in the group. Only molecule IDs for atoms in the specified
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