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Merge pull request #3818 from akohlmey/next_release

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Update version strings for upcoming release
This commit is contained in:
Axel Kohlmeyer
2023-06-15 14:30:40 -04:00
committed by GitHub
parent 1144a01658 4d02c6f26f
commit 9673c22cc7
19 changed files with 24 additions and 23 deletions
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doc/lammps.1
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@ -1,7 +1,7 @@
.TH LAMMPS "1" "28 March 2023" "2023-03-28" .TH LAMMPS "1" "15 June 2023" "2023-06-15"
.SH NAME .SH NAME
.B LAMMPS .B LAMMPS
\- Molecular Dynamics Simulator. Version 28 March 2023 \- Molecular Dynamics Simulator. Version 15 June 2023
.SH SYNOPSIS .SH SYNOPSIS
.B lmp .B lmp

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doc/src/Commands_removed.rst
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@ -41,7 +41,7 @@ warning.
LATTE package LATTE package
------------- -------------
.. deprecated:: TBD .. deprecated:: 15Jun2023
The LATTE package with the fix latte command was removed from LAMMPS. The LATTE package with the fix latte command was removed from LAMMPS.
This functionality has been superseded by :doc:`fix mdi/qm <fix_mdi_qm>` This functionality has been superseded by :doc:`fix mdi/qm <fix_mdi_qm>`

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doc/src/Fortran.rst
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@ -620,7 +620,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
output, depending on the data requested through *what*. Note that *index* output, depending on the data requested through *what*. Note that *index*
uses 1-based indexing to access thermo output columns. uses 1-based indexing to access thermo output columns.
.. versionadded:: TBD .. versionadded:: 15Jun2023
Note that this function actually does not return a value, but rather Note that this function actually does not return a value, but rather
associates the pointer on the left side of the assignment to point to associates the pointer on the left side of the assignment to point to

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doc/src/compute_count_type.rst
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@ -25,7 +25,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 15Jun2023
Define a computation that counts the current number of atoms for each Define a computation that counts the current number of atoms for each
atom type. Or the number of bonds (angles, dihedrals, impropers) for atom type. Or the number of bonds (angles, dihedrals, impropers) for

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doc/src/compute_stress_cartesian.rst
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@ -42,7 +42,7 @@ split into a kinetic contribution :math:`P^k` and a virial contribution
This compute obeys momentum balance through fluid interfaces. They use the This compute obeys momentum balance through fluid interfaces. They use the
Irving--Kirkwood contour, which is the straight line between particle pairs. Irving--Kirkwood contour, which is the straight line between particle pairs.
.. versionadded:: TBD .. versionadded:: 15Jun2023
Added support for bond styles Added support for bond styles

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doc/src/compute_stress_mop.rst
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@ -66,7 +66,7 @@ that atoms have crossed the plane if their positions at times
and uses the velocity at time :math:`t-\Delta t/2` given by the velocity and uses the velocity at time :math:`t-\Delta t/2` given by the velocity
Verlet algorithm. Verlet algorithm.
.. versionadded:: TBD .. versionadded:: 15Jun2023
contributions from bond and angle potentials contributions from bond and angle potentials

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doc/src/fix_dpd_source.rst
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@ -61,7 +61,7 @@ heat conduction with a source term (see Fig.12 in :ref:`(Li2014) <Li2014b>`)
or diffusion with a source term (see Fig.1 in :ref:`(Li2015) <Li2015b>`), as or diffusion with a source term (see Fig.1 in :ref:`(Li2015) <Li2015b>`), as
an analog of a periodic Poiseuille flow problem. an analog of a periodic Poiseuille flow problem.
.. deprecated:: TBD .. deprecated:: 15Jun2023
The *sphere* and *cuboid* keywords will be removed in a future version The *sphere* and *cuboid* keywords will be removed in a future version
of LAMMPS. The same functionality and more can be achieved with a region. of LAMMPS. The same functionality and more can be achieved with a region.

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doc/src/fix_efield.rst
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@ -136,7 +136,7 @@ due to the electric field were a spring-like F = kx, then the energy
formula should be E = -0.5kx\^2. If you don't do this correctly, the formula should be E = -0.5kx\^2. If you don't do this correctly, the
minimization will not converge properly. minimization will not converge properly.
.. versionadded:: TBD .. versionadded:: 15Jun2023
The *potential* keyword can be used as an alternative to the *energy* keyword The *potential* keyword can be used as an alternative to the *energy* keyword
to specify the name of an atom-style variable, which is used to compute the to specify the name of an atom-style variable, which is used to compute the

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doc/src/fix_print.rst
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@ -44,7 +44,7 @@ one word. If it contains variables it must be enclosed in double
quotes to ensure they are not evaluated when the input script line is quotes to ensure they are not evaluated when the input script line is
read, but will instead be evaluated each time the string is printed. read, but will instead be evaluated each time the string is printed.
.. versionadded:: TBD .. versionadded:: 15Jun2023
support for vector style variables support for vector style variables

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doc/src/fix_reaxff_species.rst
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@ -88,7 +88,7 @@ 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, format. A gzipped dump file will be about 3x smaller than the text version,
but will also take longer to write. but will also take longer to write.
.. versionadded:: TBD .. versionadded:: 15Jun2023
Support for wildcards added Support for wildcards added

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doc/src/package.rst
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@ -433,7 +433,7 @@ with 16 threads, for a total of 128.
Note that the default settings for *tpc* and *tptask* are fine for Note that the default settings for *tpc* and *tptask* are fine for
most problems, regardless of how many MPI tasks you assign to a Phi. most problems, regardless of how many MPI tasks you assign to a Phi.
.. versionadded:: TBD .. versionadded:: 15Jun2023
The *pppm_table* keyword with the argument yes allows to use a The *pppm_table* keyword with the argument yes allows to use a
pre-computed table to efficiently spread the charge to the PPPM grid. pre-computed table to efficiently spread the charge to the PPPM grid.

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doc/src/pair_aip_water_2dm.rst
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@ -33,7 +33,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 15Jun2023
The *aip/water/2dm* style computes the anisotropic interfacial potential The *aip/water/2dm* style computes the anisotropic interfacial potential
(AIP) potential for interfaces of water with two-dimensional (2D) (AIP) potential for interfaces of water with two-dimensional (2D)

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doc/src/pair_lepton.rst
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@ -61,9 +61,11 @@ Description
.. versionadded:: 8Feb2023 .. versionadded:: 8Feb2023
.. versionchanged:: TBD added pair styles *lepton* and *lepton/coul*
added pair style lepton/sphere .. versionchanged:: 15Jun2023
added pair style *lepton/sphere*
Pair styles *lepton*, *lepton/coul*, *lepton/sphere* compute pairwise Pair styles *lepton*, *lepton/coul*, *lepton/sphere* compute pairwise
interactions between particles which depend on the distance and have a interactions between particles which depend on the distance and have a

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doc/src/pair_lj_cut_sphere.rst
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@ -33,7 +33,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 15Jun2023
The *lj/cut/sphere* style compute the standard 12/6 Lennard-Jones potential, The *lj/cut/sphere* style compute the standard 12/6 Lennard-Jones potential,
given by given by

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doc/src/pair_lj_expand_sphere.rst
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@ -33,7 +33,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 15Jun2023
The *lj/expand/sphere* style compute a 12/6 Lennard-Jones potential with The *lj/expand/sphere* style compute a 12/6 Lennard-Jones potential with
a distance shifted by :math:`\Delta = \frac{1}{2} (d_i + d_j)`, the a distance shifted by :math:`\Delta = \frac{1}{2} (d_i + d_j)`, the

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doc/src/print.rst
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@ -46,7 +46,7 @@ lines of output, the string can be enclosed in triple quotes, as in
the last example above. If the text string contains variables, they the last example above. If the text string contains variables, they
will be evaluated and their current values printed. will be evaluated and their current values printed.
.. versionadded:: TBD .. versionadded:: 15Jun2023
support for vector style variables support for vector style variables

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doc/src/variable.rst
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@ -1001,7 +1001,7 @@ map kind (atom, bond, angle, dihedral, or improper) and the second
argument is the label. The function returns the corresponding numeric argument is the label. The function returns the corresponding numeric
type or triggers an error if the queried label does not exist. type or triggers an error if the queried label does not exist.
.. versionadded:: TBD .. versionadded:: 15Jun2023
The is_typelabel(kind,label) function has the same arguments as The is_typelabel(kind,label) function has the same arguments as
label2type(), but returns 1 if the type label has been assigned, label2type(), but returns 1 if the type label has been assigned,
@ -1320,7 +1320,7 @@ Vectors" discussion above.
Vector Initialization Vector Initialization
--------------------- ---------------------
.. versionadded:: TBD .. versionadded:: 15Jun2023
*Vector*-style variables only can be initialized with a special *Vector*-style variables only can be initialized with a special
syntax, instead of using a formula. The syntax is a bracketed, syntax, instead of using a formula. The syntax is a bracketed,

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src/library.cpp
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@ -756,7 +756,7 @@ double lammps_get_thermo(void *handle, const char *keyword)
* *
\verbatim embed:rst \verbatim embed:rst
.. versionadded:: TBD .. versionadded:: 15Jun2023
This function provides access to cached data from the last thermo output. This function provides access to cached data from the last thermo output.
This differs from :cpp:func:`lammps_get_thermo` in that it does not trigger This differs from :cpp:func:`lammps_get_thermo` in that it does not trigger

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src/version.h
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@ -1,2 +1 @@
#define LAMMPS_VERSION "28 Mar 2023" #define LAMMPS_VERSION "15 Jun 2023"
#define LAMMPS_UPDATE "Development"