diff --git a/doc/lammps.1 b/doc/lammps.1 index d6d43cc081..01dba5b277 100644 --- a/doc/lammps.1 +++ b/doc/lammps.1 @@ -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 diff --git a/doc/src/Intro_portability.rst b/doc/src/Intro_portability.rst index 8bb716833f..63ae147b8c 100644 --- a/doc/src/Intro_portability.rst +++ b/doc/src/Intro_portability.rst @@ -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 diff --git a/doc/src/Python_install.rst b/doc/src/Python_install.rst index 1bb0768d62..e225327c06 100644 --- a/doc/src/Python_install.rst +++ b/doc/src/Python_install.rst @@ -7,7 +7,7 @@ LAMMPS shared library through the Python `ctypes `_ module. Because of the dynamic loading, it is required that LAMMPS is compiled in :ref:`"shared" mode `. -.. versionchanged:: TBD +.. versionchanged:: 2Apr2025 LAMMPS currently only supports Python version 3.6 or later. diff --git a/doc/src/bond_bpm_spring_plastic.rst b/doc/src/bond_bpm_spring_plastic.rst index 3bc2c4ee46..e19e520d0e 100644 --- a/doc/src/bond_bpm_spring_plastic.rst +++ b/doc/src/bond_bpm_spring_plastic.rst @@ -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 diff --git a/doc/src/compute_vacf_chunk.rst b/doc/src/compute_vacf_chunk.rst index f9d22e22a1..6ae676edaf 100644 --- a/doc/src/compute_vacf_chunk.rst +++ b/doc/src/compute_vacf_chunk.rst @@ -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. diff --git a/doc/src/dump.rst b/doc/src/dump.rst index 557d7b11bb..62f9909073 100644 --- a/doc/src/dump.rst +++ b/doc/src/dump.rst @@ -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 ` option to replace numeric atom types with :doc:`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 diff --git a/doc/src/fix_adapt.rst b/doc/src/fix_adapt.rst index a6c07fad4d..2eec2eb457 100644 --- a/doc/src/fix_adapt.rst +++ b/doc/src/fix_adapt.rst @@ -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 diff --git a/doc/src/fix_bond_react.rst b/doc/src/fix_bond_react.rst index adbfc3f3bd..542407d7ff 100644 --- a/doc/src/fix_bond_react.rst +++ b/doc/src/fix_bond_react.rst @@ -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 diff --git a/doc/src/fix_halt.rst b/doc/src/fix_halt.rst index e2f74eae77..aa6490a879 100644 --- a/doc/src/fix_halt.rst +++ b/doc/src/fix_halt.rst @@ -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 diff --git a/doc/src/fix_modify.rst b/doc/src/fix_modify.rst index a5a499e220..42e64226d1 100644 --- a/doc/src/fix_modify.rst +++ b/doc/src/fix_modify.rst @@ -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 diff --git a/doc/src/fix_move.rst b/doc/src/fix_move.rst index bce6f7046e..a493678143 100644 --- a/doc/src/fix_move.rst +++ b/doc/src/fix_move.rst @@ -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 diff --git a/doc/src/fix_pimd.rst b/doc/src/fix_pimd.rst index 2ba0d384fd..0f37260194 100644 --- a/doc/src/fix_pimd.rst +++ b/doc/src/fix_pimd.rst @@ -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) `. -.. versionadded:: TBD +.. versionadded:: 2Apr2025 Fix *pimd/langevin/bosonic* and *pimd/nvt/bosonic* were added. diff --git a/doc/src/fix_reaxff_bonds.rst b/doc/src/fix_reaxff_bonds.rst index f0f6e33443..1194af617c 100644 --- a/doc/src/fix_reaxff_bonds.rst +++ b/doc/src/fix_reaxff_bonds.rst @@ -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 "\*" diff --git a/doc/src/pair_dispersion_d3.rst b/doc/src/pair_dispersion_d3.rst index a9249299d0..a78bf17a40 100644 --- a/doc/src/pair_dispersion_d3.rst +++ b/doc/src/pair_dispersion_d3.rst @@ -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 ` when used as :doc:`hybrid diff --git a/doc/src/region2vmd.rst b/doc/src/region2vmd.rst index 760facf06f..792155d9eb 100644 --- a/doc/src/region2vmd.rst +++ b/doc/src/region2vmd.rst @@ -33,7 +33,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 2Apr2025 Write a `VMD `_ Tcl script file with commands that aim to create a visualization of :doc:`regions `. diff --git a/python/lammps/core.py b/python/lammps/core.py index 537472d636..d808fc713f 100644 --- a/python/lammps/core.py +++ b/python/lammps/core.py @@ -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 diff --git a/src/library.cpp b/src/library.cpp index 27148e9697..6104d23868 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -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 `. This is so diff --git a/src/version.h b/src/version.h index d28810b466..7ba666ade1 100644 --- a/src/version.h +++ b/src/version.h @@ -1,2 +1 @@ -#define LAMMPS_VERSION "4 Feb 2025" -#define LAMMPS_UPDATE "Development" +#define LAMMPS_VERSION "2 Apr 2025"