update release date to 21 November 2023
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@ -1,7 +1,7 @@
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.TH LAMMPS "1" "17 November 2023" "2023-11-17"
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.TH LAMMPS "1" "21 November 2023" "2023-11-21"
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.SH NAME
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.B LAMMPS
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\- Molecular Dynamics Simulator. Version 17 November 2023
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\- Molecular Dynamics Simulator. Version 21 November 2023
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.SH SYNOPSIS
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.B lmp
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@ -88,7 +88,7 @@ The same functionality is available through
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MPIIO package
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-------------
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.. deprecated:: 17Nov2023
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.. deprecated:: 21Nov2023
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The MPIIO package has been removed from LAMMPS since it was unmaintained
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for many years and thus not updated to incorporate required changes that
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@ -107,7 +107,7 @@ see :doc:`restart <restart>`, :doc:`read_restart <read_restart>`,
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MSCG package
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------------
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.. deprecated:: 17Nov2023
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.. deprecated:: 21Nov2023
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The MSCG package has been removed from LAMMPS since it was unmaintained
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for many years and instead superseded by the `OpenMSCG software
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@ -36,7 +36,7 @@ Examples
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Description
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"""""""""""
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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Define a computation that calculates a local composition vector for each
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atom. For a central atom with :math:`M` neighbors within the neighbor cutoff sphere,
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@ -61,7 +61,7 @@ varying fastest, then Y, then Z slowest. For 2d grids (in 2d
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simulations), the grid IDs range from 1 to Nx*Ny, with X varying
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fastest and Y slowest.
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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The *proc* attribute is the ID of the processor which owns the grid
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cell. Processor IDs range from 0 to Nprocs - 1, where Nprocs is the
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@ -201,7 +201,7 @@ information in this context, the *replace* keywords will extract the
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atom IDs for the two atoms in the bond of maximum stretch. These atom
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IDs and the bond stretch will be printed with thermodynamic output.
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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The *inputs* keyword allows selection of whether all the inputs are
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per-atom or local quantities. As noted above, all the inputs must be
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@ -190,7 +190,7 @@ Voro++ software in the src/VORONOI/README file.
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Output info
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"""""""""""
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.. deprecated:: 17Nov2023
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.. deprecated:: 21Nov2023
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The *peratom* keyword was removed as it is no longer required.
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@ -613,7 +613,7 @@ when running on large numbers of processors.
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Note that using the "\*" and "%" characters together can produce a
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large number of small dump files!
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.. deprecated:: 17Nov2023
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.. deprecated:: 21Nov2023
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The MPIIO package and the the corresponding "/mpiio" dump styles, except
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for the unrelated "netcdf/mpiio" style were removed from LAMMPS.
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@ -599,7 +599,7 @@ image will appear. The *sfactor* value must be a value 0.0 <=
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*sfactor* <= 1.0, where *sfactor* = 1 is a highly reflective surface
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and *sfactor* = 0 is a rough non-shiny surface.
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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The *fsaa* keyword can be used with the dump image command to improve
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the image quality by enabling full scene anti-aliasing. Internally the
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@ -220,7 +220,7 @@ rotated configuration of the molecule.
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existing particle. LAMMPS will issue a warning if R is smaller than
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this value, based on the radii of existing and inserted particles.
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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The *var* and *set* keywords can be used together to provide a criterion
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for accepting or rejecting the addition of an individual atom, based on its
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@ -149,7 +149,7 @@ normal-mode PIMD. A value of *cmd* is for centroid molecular dynamics
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only the k > 0 modes are thermostatted, not the centroid degrees of
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freedom.
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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Mode *pimd* added to fix pimd/langevin.
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@ -617,7 +617,7 @@ combined by removing the '&' and the following newline character. After
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this processing the string is handed to LAMMPS for parsing and
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executing.
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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The command is now able to process long strings with triple quotes and
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loops using :doc:`jump SELF \<label\> <jump>`.
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@ -2484,7 +2484,7 @@ int lammps_set_variable(void *handle, char *name, char *str)
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*
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\verbatim embed:rst
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.. versionadded:: 17Nov2023
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.. versionadded:: 21Nov2023
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This function copies a string with human readable information about
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a defined variable: name, style, current value(s) into the provided
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@ -5581,7 +5581,7 @@ int lammps_config_has_ffmpeg_support() {
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*
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\verbatim embed:rst
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.. deprecated:: 17Nov2023
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.. deprecated:: 21Nov2023
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LAMMPS has now exceptions always enabled, so this function
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will now always return 1 and can be removed from applications
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@ -6658,7 +6658,7 @@ the failing MPI ranks to send messages.
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instance, but instead would check the global error buffer of the
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library interface.
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.. versionchanged: 17Nov2023
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.. versionchanged: 21Nov2023
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The *buffer* pointer may be ``NULL``. This will clear any error
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status without copying the error message.
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@ -1 +1 @@
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#define LAMMPS_VERSION "17 Nov 2023"
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#define LAMMPS_VERSION "21 Nov 2023"
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