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update versions strings for the next patch release
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.TH LAMMPS "1" "3 August 2022" "2022-8-3"
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.TH LAMMPS "1" "15 September 2022" "2022-9-15"
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.SH NAME
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.B LAMMPS
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\- Molecular Dynamics Simulator. Version 3 August 2022
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\- Molecular Dynamics Simulator. Version 15 September 2022
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.SH SYNOPSIS
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.B lmp
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@ -328,7 +328,7 @@ removed so this update is **required** to avoid compilation failure.
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Split of fix STORE into fix STORE/GLOBAL and fix STORE/PERATOM
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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.. versionchanged:: TBD
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.. versionchanged:: 15Sep2022
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This change splits the GLOBAL and PERATOM modes of fix STORE into two
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separate fixes STORE/GLOBAL and STORE/PERATOM. There was very little
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@ -387,7 +387,7 @@ This change is **required** or else the code will not compile.
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Use Output::get_dump_by_id() instead of Output::find_dump()
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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.. versionchanged:: TBD
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.. versionchanged:: 15Sep2022
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The accessor function to individual dump style instances has been changed
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from ``Output::find_dump()`` returning the index of the dump instance in
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@ -1,7 +1,7 @@
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Type labels
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===========
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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Each atom in LAMMPS has an associated numeric atom type. Similarly,
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each bond, angle, dihedral, and improper is assigned a bond type,
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@ -24,7 +24,7 @@ Examples
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Description
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"""""""""""
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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The *mesocnt* angle style uses the potential
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@ -22,7 +22,7 @@ Examples
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Description
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"""""""""""
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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The *mesocnt* bond style is a wrapper for the :doc:`harmonic
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<bond_harmonic>` style, and uses the potential
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@ -167,7 +167,7 @@ triangular particles and define the corner points of each triangle.
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In addition, the various per-atom quantities listed above for specific
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packages are only accessible by this command.
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.. versionchanged:: TBD
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.. versionchanged:: 15Sep2022
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The *espin* property was previously called *spin*.
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@ -33,7 +33,7 @@ Examples
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Description
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"""""""""""
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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Define alphanumeric type labels to associate with one or more numeric
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atom, bond, angle, dihedral or improper types. A collection of type
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@ -48,7 +48,7 @@ in LAMMPS. For the exact functional form of the potential and
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implementation details, the reader is referred to the original papers
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:ref:`(Volkov1) <Volkov1>` and :ref:`(Volkov2) <Volkov2>`.
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.. versionchanged:: TBD
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.. versionchanged:: 15Sep2022
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The potential supports two modes, *segment* and *chain*. By default,
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*chain* mode is enabled. In *segment* mode, interactions are
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@ -84,7 +84,7 @@ is faster and is enabled by default.
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IDs. If this is not possible (e.g. in simulations of CNT rings),
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*topology* mode needs to be enabled in the pair_style command.
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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In addition to the LJ interactions described above, style
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*mesocnt/viscous* explicitly models friction between neighboring
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@ -282,25 +282,25 @@ the orientation of a particular atom is the same, regardless of how
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many processors are being used. This keyword does not allow use of an
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atom-style variable.
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.. versionchanged:: TBD
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.. versionchanged:: 15Sep2022
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Keyword *spin/atom* uses the specified g value to set the magnitude of the
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magnetic spin vectors, and the x,y,z values as components of a vector
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to set as the orientation of the magnetic spin vectors of the selected
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atoms. This keyword was previously called *spin*.
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.. versionchanged:: TBD
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.. versionchanged:: 15Sep2022
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Keyword *spin/atom/random* randomizes the orientation of the magnetic spin
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vectors for the selected atoms and sets the magnitude of each to the
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specified *Dlen* value. This keyword was previously called *spin/random*.
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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Keyword *radius/electron* uses the specified value to set the radius of
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electrons or fixed cores.
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.. versionadded:: TBD
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.. versionadded:: 15Sep2022
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Keyword *spin/electron* sets the spin of an electron (+/- 1) or indicates
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nuclei (=0), fixed-cores (=2), or pseudo-cores (= 3).
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@ -1 +1 @@
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#define LAMMPS_VERSION "3 Aug 2022"
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#define LAMMPS_VERSION "15 Sep 2022"
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