diff --git a/doc/lammps.1 b/doc/lammps.1 index b1be867e60..9bc107624f 100644 --- a/doc/lammps.1 +++ b/doc/lammps.1 @@ -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 diff --git a/doc/src/Commands_removed.rst b/doc/src/Commands_removed.rst index d50eab3a41..1848a28024 100644 --- a/doc/src/Commands_removed.rst +++ b/doc/src/Commands_removed.rst @@ -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 This functionality has been superseded by :doc:`fix mdi/qm ` diff --git a/doc/src/Fortran.rst b/doc/src/Fortran.rst index a0e4da56b5..7e9f16fa70 100644 --- a/doc/src/Fortran.rst +++ b/doc/src/Fortran.rst @@ -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 diff --git a/doc/src/compute_count_type.rst b/doc/src/compute_count_type.rst index 81fffb4f28..ca3b02ecdb 100644 --- a/doc/src/compute_count_type.rst +++ b/doc/src/compute_count_type.rst @@ -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 diff --git a/doc/src/compute_stress_cartesian.rst b/doc/src/compute_stress_cartesian.rst index 3e1e9d9a8a..46785149f8 100644 --- a/doc/src/compute_stress_cartesian.rst +++ b/doc/src/compute_stress_cartesian.rst @@ -41,7 +41,7 @@ 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 @@ -119,4 +119,4 @@ Related commands .. _Ikeshoji2: -**(Ikeshoji)** Ikeshoji, Hafskjold, Furuholt, Mol Sim, 29, 101-109, (2003). \ No newline at end of file +**(Ikeshoji)** Ikeshoji, Hafskjold, Furuholt, Mol Sim, 29, 101-109, (2003). diff --git a/doc/src/compute_stress_mop.rst b/doc/src/compute_stress_mop.rst index ec654dc61c..21c2963545 100644 --- a/doc/src/compute_stress_mop.rst +++ b/doc/src/compute_stress_mop.rst @@ -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 diff --git a/doc/src/fix_dpd_source.rst b/doc/src/fix_dpd_source.rst index ade9659d00..71894161f1 100644 --- a/doc/src/fix_dpd_source.rst +++ b/doc/src/fix_dpd_source.rst @@ -61,7 +61,7 @@ heat conduction with a source term (see Fig.12 in :ref:`(Li2014) `) or diffusion with a source term (see Fig.1 in :ref:`(Li2015) `), 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. diff --git a/doc/src/fix_efield.rst b/doc/src/fix_efield.rst index 4cf92cf946..e38e1e6894 100644 --- a/doc/src/fix_efield.rst +++ b/doc/src/fix_efield.rst @@ -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 diff --git a/doc/src/fix_print.rst b/doc/src/fix_print.rst index 938b40d1f9..05abbe3c98 100644 --- a/doc/src/fix_print.rst +++ b/doc/src/fix_print.rst @@ -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 diff --git a/doc/src/fix_reaxff_species.rst b/doc/src/fix_reaxff_species.rst index c22c9d7b9f..6a171ede5e 100644 --- a/doc/src/fix_reaxff_species.rst +++ b/doc/src/fix_reaxff_species.rst @@ -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 diff --git a/doc/src/package.rst b/doc/src/package.rst index b0549ba7d9..0f28598029 100644 --- a/doc/src/package.rst +++ b/doc/src/package.rst @@ -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. diff --git a/doc/src/pair_aip_water_2dm.rst b/doc/src/pair_aip_water_2dm.rst index 532ee8f8f6..5cee40edda 100644 --- a/doc/src/pair_aip_water_2dm.rst +++ b/doc/src/pair_aip_water_2dm.rst @@ -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) diff --git a/doc/src/pair_lepton.rst b/doc/src/pair_lepton.rst index 608265ecbd..21e619a3d9 100644 --- a/doc/src/pair_lepton.rst +++ b/doc/src/pair_lepton.rst @@ -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 diff --git a/doc/src/pair_lj_cut_sphere.rst b/doc/src/pair_lj_cut_sphere.rst index 428047d5df..31f84bc40e 100644 --- a/doc/src/pair_lj_cut_sphere.rst +++ b/doc/src/pair_lj_cut_sphere.rst @@ -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 diff --git a/doc/src/pair_lj_expand_sphere.rst b/doc/src/pair_lj_expand_sphere.rst index c60cf160f0..2c01624251 100644 --- a/doc/src/pair_lj_expand_sphere.rst +++ b/doc/src/pair_lj_expand_sphere.rst @@ -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 diff --git a/doc/src/print.rst b/doc/src/print.rst index f5a872e768..a221ed04b6 100644 --- a/doc/src/print.rst +++ b/doc/src/print.rst @@ -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 diff --git a/doc/src/variable.rst b/doc/src/variable.rst index 1b1acba92d..67600af62d 100644 --- a/doc/src/variable.rst +++ b/doc/src/variable.rst @@ -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, diff --git a/src/library.cpp b/src/library.cpp index 1996ebbcb4..872b59693f 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -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 diff --git a/src/version.h b/src/version.h index 2d0eb0480e..63547c4a01 100644 --- a/src/version.h +++ b/src/version.h @@ -1,2 +1 @@ -#define LAMMPS_VERSION "28 Mar 2023" -#define LAMMPS_UPDATE "Development" +#define LAMMPS_VERSION "15 Jun 2023"