Merge pull request #3818 from akohlmey/next_release

Update version strings for upcoming release
This commit is contained in:
Axel Kohlmeyer
2023-06-15 14:30:40 -04:00
committed by GitHub
19 changed files with 24 additions and 23 deletions

View File

@ -1,7 +1,7 @@
.TH LAMMPS "1" "28 March 2023" "2023-03-28"
.TH LAMMPS "1" "15 June 2023" "2023-06-15"
.SH NAME
.B LAMMPS
\- Molecular Dynamics Simulator. Version 28 March 2023
\- Molecular Dynamics Simulator. Version 15 June 2023
.SH SYNOPSIS
.B lmp

View File

@ -41,7 +41,7 @@ warning.
LATTE package
-------------
.. deprecated:: TBD
.. deprecated:: 15Jun2023
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This functionality has been superseded by :doc:`fix mdi/qm 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>`

View File

@ -620,7 +620,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
output, depending on the data requested through *what*. Note that *index*
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
associates the pointer on the left side of the assignment to point to

View File

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

View File

@ -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
Irving--Kirkwood contour, which is the straight line between particle pairs.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
Added support for bond styles

View File

@ -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
Verlet algorithm.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
contributions from bond and angle potentials

View File

@ -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
an analog of a periodic Poiseuille flow problem.
.. deprecated:: TBD
.. deprecated:: 15Jun2023
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.

View File

@ -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
minimization will not converge properly.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
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

View File

@ -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
read, but will instead be evaluated each time the string is printed.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
support for vector style variables

View File

@ -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,
but will also take longer to write.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
Support for wildcards added

View File

@ -433,7 +433,7 @@ with 16 threads, for a total of 128.
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.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
The *pppm_table* keyword with the argument yes allows to use a
pre-computed table to efficiently spread the charge to the PPPM grid.

View File

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

View File

@ -61,9 +61,11 @@ Description
.. 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
interactions between particles which depend on the distance and have a

View File

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

View File

@ -33,7 +33,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 15Jun2023
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

View File

@ -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
will be evaluated and their current values printed.
.. versionadded:: TBD
.. versionadded:: 15Jun2023
support for vector style variables

View File

@ -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
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
label2type(), but returns 1 if the type label has been assigned,
@ -1320,7 +1320,7 @@ Vectors" discussion above.
Vector Initialization
---------------------
.. versionadded:: TBD
.. versionadded:: 15Jun2023
*Vector*-style variables only can be initialized with a special
syntax, instead of using a formula. The syntax is a bracketed,

View File

@ -756,7 +756,7 @@ double lammps_get_thermo(void *handle, const char *keyword)
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 15Jun2023
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

View File

@ -1,2 +1 @@
#define LAMMPS_VERSION "28 Mar 2023"
#define LAMMPS_UPDATE "Development"
#define LAMMPS_VERSION "15 Jun 2023"