Merge pull request #4524 from akohlmey/next_release

Step version strings for next feature release
This commit is contained in:
Axel Kohlmeyer
2025-04-02 16:04:25 -04:00
committed by GitHub
18 changed files with 19 additions and 20 deletions

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@ -1,7 +1,7 @@
.TH LAMMPS "1" "4 February 2025" "2025-02-04"
.TH LAMMPS "1" "2 April 2025" "2025-04-02"
.SH NAME
.B LAMMPS
\- Molecular Dynamics Simulator. Version 4 February 2025
\- Molecular Dynamics Simulator. Version 2 April 2025
.SH SYNOPSIS
.B lmp

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@ -15,7 +15,7 @@ Most of the C++ code currently requires a compiler compatible with the
C++11 standard, the KOKKOS package currently requires C++17. Most of
the Python code is written to be compatible with Python 3.6 or later.
.. deprecated:: TBD
.. deprecated:: 2Apr2025
Python 2.x is no longer supported and trying to use it, e.g. for the
LAMMPS Python module should result in an error. If you come across

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@ -7,7 +7,7 @@ LAMMPS shared library through the Python `ctypes <ctypes_>`_
module. Because of the dynamic loading, it is required that LAMMPS is
compiled in :ref:`"shared" mode <exe>`.
.. versionchanged:: TBD
.. versionchanged:: 2Apr2025
LAMMPS currently only supports Python version 3.6 or later.

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@ -51,7 +51,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 2Apr2025
The *bpm/spring/plastic* bond style computes forces based on
deviations from the initial reference state of the two atoms and the

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@ -24,7 +24,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 2Apr2025
Define a computation that calculates the velocity auto-correlation
function (VACF) for multiple chunks of atoms.

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@ -478,7 +478,7 @@ label). This option will help many visualization programs to guess bonds
and colors. You can use the :doc:`dump_modify types labels <dump_modify>`
option to replace numeric atom types with :doc:`type labels <Howto_type_labels>`.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
The *extxyz* style writes XYZ files compatible with the Extended XYZ (or
ExtXYZ) format as defined as defined in `the libAtoms specification

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@ -433,7 +433,7 @@ this fix uses to reset theta0 needs to generate values in radians.
----------
.. versionadded:: TBD
.. versionadded:: 2Apr2025
The *improper* keyword uses the specified variable to change the value of
an improper coefficient over time, very similar to how the *angle* keyword

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@ -189,7 +189,7 @@ due to the internal dynamic grouping performed by fix bond/react.
If the group-ID is an existing static group, react-group-IDs
should also be specified as this static group or a subset.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
New *molmap* option

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@ -173,7 +173,7 @@ printed; the run simply exits. The latter may be desirable for
post-processing tools that extract thermodynamic information from log
files.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
The optional *universe* keyword determines whether the halt request
should be synchronized across the partitions of a :doc:`multi-partition

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@ -185,7 +185,7 @@ replaces the string for that specific keyword. The *colname* keyword can
be used multiple times. If multiple *colname* settings refer to the same
keyword, the last setting has precedence.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
The *pad* keyword only applies when a fix produces a file and the output
filename is specified with a wildcard "\*" character which becomes the

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@ -218,7 +218,7 @@ been previously used to define the lattice spacing. Each of these 3
quantities may be dependent on the x,y,z dimension, since the lattice
spacings can be different in x,y,z.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
If the *update dipole* keyword/value pair is used together with the
*rotate* or *transrot* style, then the orientation of the dipole moment

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@ -89,7 +89,7 @@ partition function for the original system to a classical partition
function for a ring-polymer system is exploited, to efficiently sample
configurations from the canonical ensemble :ref:`(Feynman) <Feynman>`.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
Fix *pimd/langevin/bosonic* and *pimd/nvt/bosonic* were added.

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@ -56,7 +56,7 @@ If the filename ends with ".gz", the output file is written in gzipped
format. A gzipped dump file will be about 3x smaller than the text
version, but will also take longer to write.
.. versionadded:: TBD
.. versionadded:: 2Apr2025
If the filename contains the wildcard character "\*", a new file is
created on every timestep there bond information is written. The "\*"

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@ -55,7 +55,7 @@ factor, and :math:`f_n^{damp}` are damping functions.
contributions, according to, for example, the Axilrod-Teller-Muto
model.
.. versionchanged:: TBD
.. versionchanged:: 2Apr2025
renamed *zero* keyword to *original* to avoid conflicts with
:doc:`pair style zero <pair_zero>` when used as :doc:`hybrid

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@ -33,7 +33,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 2Apr2025
Write a `VMD <https://ks.uiuc.edu/Research/vmd/>`_ Tcl script file with
commands that aim to create a visualization of :doc:`regions <region>`.

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@ -2129,7 +2129,7 @@ class lammps(object):
def set_show_error(self, flag):
""" Enable or disable direct printing of error messages in C++ code
.. versionadded:: TBD
.. versionadded:: 2Apr2025
This function allows to enable or disable printing of error message directly in
the C++ code. Disabling the printing avoids printing error messages twice when

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@ -7502,7 +7502,7 @@ int lammps_has_error(void *handle)
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 2Apr2025
This function can be used to stop LAMMPS from printing error messages
*before* LAMMPS throws a :ref:`C++ exception <exceptions>`. This is so

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@ -1,2 +1 @@
#define LAMMPS_VERSION "4 Feb 2025"
#define LAMMPS_UPDATE "Development"
#define LAMMPS_VERSION "2 Apr 2025"