Merge pull request #3818 from akohlmey/next_release
Update version strings for upcoming release
This commit is contained in:
@ -1,7 +1,7 @@
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.TH LAMMPS "1" "28 March 2023" "2023-03-28"
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.TH LAMMPS "1" "15 June 2023" "2023-06-15"
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.SH NAME
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.B LAMMPS
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\- Molecular Dynamics Simulator. Version 28 March 2023
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\- Molecular Dynamics Simulator. Version 15 June 2023
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.SH SYNOPSIS
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.B lmp
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@ -41,7 +41,7 @@ warning.
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LATTE package
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-------------
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.. deprecated:: TBD
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.. deprecated:: 15Jun2023
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The LATTE package with the fix latte command was removed from LAMMPS.
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This functionality has been superseded by :doc:`fix mdi/qm <fix_mdi_qm>`
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@ -620,7 +620,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
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output, depending on the data requested through *what*. Note that *index*
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uses 1-based indexing to access thermo output columns.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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Note that this function actually does not return a value, but rather
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associates the pointer on the left side of the assignment to point to
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@ -25,7 +25,7 @@ Examples
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Description
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"""""""""""
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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Define a computation that counts the current number of atoms for each
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atom type. Or the number of bonds (angles, dihedrals, impropers) for
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@ -42,7 +42,7 @@ split into a kinetic contribution :math:`P^k` and a virial contribution
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This compute obeys momentum balance through fluid interfaces. They use the
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Irving--Kirkwood contour, which is the straight line between particle pairs.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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Added support for bond styles
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@ -66,7 +66,7 @@ that atoms have crossed the plane if their positions at times
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and uses the velocity at time :math:`t-\Delta t/2` given by the velocity
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Verlet algorithm.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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contributions from bond and angle potentials
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@ -61,7 +61,7 @@ heat conduction with a source term (see Fig.12 in :ref:`(Li2014) <Li2014b>`)
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or diffusion with a source term (see Fig.1 in :ref:`(Li2015) <Li2015b>`), as
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an analog of a periodic Poiseuille flow problem.
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.. deprecated:: TBD
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.. deprecated:: 15Jun2023
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The *sphere* and *cuboid* keywords will be removed in a future version
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of LAMMPS. The same functionality and more can be achieved with a region.
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@ -136,7 +136,7 @@ due to the electric field were a spring-like F = kx, then the energy
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formula should be E = -0.5kx\^2. If you don't do this correctly, the
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minimization will not converge properly.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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The *potential* keyword can be used as an alternative to the *energy* keyword
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to specify the name of an atom-style variable, which is used to compute the
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@ -44,7 +44,7 @@ one word. If it contains variables it must be enclosed in double
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quotes to ensure they are not evaluated when the input script line is
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read, but will instead be evaluated each time the string is printed.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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support for vector style variables
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@ -88,7 +88,7 @@ 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 version,
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but will also take longer to write.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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Support for wildcards added
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@ -433,7 +433,7 @@ with 16 threads, for a total of 128.
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Note that the default settings for *tpc* and *tptask* are fine for
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most problems, regardless of how many MPI tasks you assign to a Phi.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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The *pppm_table* keyword with the argument yes allows to use a
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pre-computed table to efficiently spread the charge to the PPPM grid.
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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:: 15Jun2023
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The *aip/water/2dm* style computes the anisotropic interfacial potential
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(AIP) potential for interfaces of water with two-dimensional (2D)
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@ -61,9 +61,11 @@ Description
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.. versionadded:: 8Feb2023
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.. versionchanged:: TBD
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added pair styles *lepton* and *lepton/coul*
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added pair style lepton/sphere
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.. versionchanged:: 15Jun2023
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added pair style *lepton/sphere*
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Pair styles *lepton*, *lepton/coul*, *lepton/sphere* compute pairwise
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interactions between particles which depend on the distance and have a
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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:: 15Jun2023
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The *lj/cut/sphere* style compute the standard 12/6 Lennard-Jones potential,
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given by
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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:: 15Jun2023
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The *lj/expand/sphere* style compute a 12/6 Lennard-Jones potential with
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a distance shifted by :math:`\Delta = \frac{1}{2} (d_i + d_j)`, the
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@ -46,7 +46,7 @@ lines of output, the string can be enclosed in triple quotes, as in
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the last example above. If the text string contains variables, they
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will be evaluated and their current values printed.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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support for vector style variables
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@ -1001,7 +1001,7 @@ map kind (atom, bond, angle, dihedral, or improper) and the second
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argument is the label. The function returns the corresponding numeric
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type or triggers an error if the queried label does not exist.
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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The is_typelabel(kind,label) function has the same arguments as
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label2type(), but returns 1 if the type label has been assigned,
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@ -1320,7 +1320,7 @@ Vectors" discussion above.
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Vector Initialization
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---------------------
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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*Vector*-style variables only can be initialized with a special
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syntax, instead of using a formula. The syntax is a bracketed,
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@ -756,7 +756,7 @@ double lammps_get_thermo(void *handle, const char *keyword)
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*
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\verbatim embed:rst
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.. versionadded:: TBD
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.. versionadded:: 15Jun2023
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This function provides access to cached data from the last thermo output.
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This differs from :cpp:func:`lammps_get_thermo` in that it does not trigger
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@ -1,2 +1 @@
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#define LAMMPS_VERSION "28 Mar 2023"
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#define LAMMPS_UPDATE "Development"
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#define LAMMPS_VERSION "15 Jun 2023"
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