Merge pull request #4524 from akohlmey/next_release
Step version strings for next feature release
This commit is contained in:
@ -1,7 +1,7 @@
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.TH LAMMPS "1" "4 February 2025" "2025-02-04"
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.TH LAMMPS "1" "2 April 2025" "2025-04-02"
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.SH NAME
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.B LAMMPS
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\- Molecular Dynamics Simulator. Version 4 February 2025
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\- Molecular Dynamics Simulator. Version 2 April 2025
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.SH SYNOPSIS
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.B lmp
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@ -15,7 +15,7 @@ Most of the C++ code currently requires a compiler compatible with the
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C++11 standard, the KOKKOS package currently requires C++17. Most of
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the Python code is written to be compatible with Python 3.6 or later.
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.. deprecated:: TBD
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.. deprecated:: 2Apr2025
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Python 2.x is no longer supported and trying to use it, e.g. for the
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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_>`_
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module. Because of the dynamic loading, it is required that LAMMPS is
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compiled in :ref:`"shared" mode <exe>`.
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.. versionchanged:: TBD
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.. versionchanged:: 2Apr2025
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LAMMPS currently only supports Python version 3.6 or later.
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@ -51,7 +51,7 @@ Examples
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Description
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"""""""""""
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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The *bpm/spring/plastic* bond style computes forces based on
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deviations from the initial reference state of the two atoms and the
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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:: 2Apr2025
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Define a computation that calculates the velocity auto-correlation
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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
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and colors. You can use the :doc:`dump_modify types labels <dump_modify>`
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option to replace numeric atom types with :doc:`type labels <Howto_type_labels>`.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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The *extxyz* style writes XYZ files compatible with the Extended XYZ (or
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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.
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----------
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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The *improper* keyword uses the specified variable to change the value of
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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.
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If the group-ID is an existing static group, react-group-IDs
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should also be specified as this static group or a subset.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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New *molmap* option
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@ -173,7 +173,7 @@ printed; the run simply exits. The latter may be desirable for
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post-processing tools that extract thermodynamic information from log
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files.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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The optional *universe* keyword determines whether the halt request
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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
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be used multiple times. If multiple *colname* settings refer to the same
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keyword, the last setting has precedence.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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The *pad* keyword only applies when a fix produces a file and the output
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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
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quantities may be dependent on the x,y,z dimension, since the lattice
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spacings can be different in x,y,z.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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If the *update dipole* keyword/value pair is used together with the
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*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
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function for a ring-polymer system is exploited, to efficiently sample
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configurations from the canonical ensemble :ref:`(Feynman) <Feynman>`.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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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
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format. A gzipped dump file will be about 3x smaller than the text
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version, but will also take longer to write.
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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If the filename contains the wildcard character "\*", a new file is
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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.
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contributions, according to, for example, the Axilrod-Teller-Muto
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model.
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.. versionchanged:: TBD
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.. versionchanged:: 2Apr2025
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renamed *zero* keyword to *original* to avoid conflicts with
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:doc:`pair style zero <pair_zero>` when used as :doc:`hybrid
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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:: 2Apr2025
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Write a `VMD <https://ks.uiuc.edu/Research/vmd/>`_ Tcl script file with
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commands that aim to create a visualization of :doc:`regions <region>`.
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@ -2129,7 +2129,7 @@ class lammps(object):
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def set_show_error(self, flag):
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""" Enable or disable direct printing of error messages in C++ code
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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This function allows to enable or disable printing of error message directly in
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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)
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\verbatim embed:rst
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.. versionadded:: TBD
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.. versionadded:: 2Apr2025
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This function can be used to stop LAMMPS from printing error messages
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*before* LAMMPS throws a :ref:`C++ exception <exceptions>`. This is so
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@ -1,2 +1 @@
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#define LAMMPS_VERSION "4 Feb 2025"
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#define LAMMPS_UPDATE "Development"
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#define LAMMPS_VERSION "2 Apr 2025"
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