diff --git a/doc/lammps.1 b/doc/lammps.1 index 79964d1680..766522d4aa 100644 --- a/doc/lammps.1 +++ b/doc/lammps.1 @@ -1,7 +1,7 @@ -.TH LAMMPS "1" "2 August 2023" "2023-08-2" +.TH LAMMPS "1" "17 November 2023" "2023-11-17" .SH NAME .B LAMMPS -\- Molecular Dynamics Simulator. Version 2 August 2023 +\- Molecular Dynamics Simulator. Version 17 November 2023 .SH SYNOPSIS .B lmp diff --git a/doc/src/Commands_removed.rst b/doc/src/Commands_removed.rst index 84cc534304..d0e723aabe 100644 --- a/doc/src/Commands_removed.rst +++ b/doc/src/Commands_removed.rst @@ -88,7 +88,7 @@ The same functionality is available through MPIIO package ------------- -.. deprecated:: TBD +.. deprecated:: 17Nov2023 The MPIIO package has been removed from LAMMPS since it was unmaintained for many years and thus not updated to incorporate required changes that @@ -107,7 +107,7 @@ see :doc:`restart `, :doc:`read_restart `, MSCG package ------------ -.. deprecated:: TBD +.. deprecated:: 17Nov2023 The MSCG package has been removed from LAMMPS since it was unmaintained for many years and instead superseded by the `OpenMSCG software diff --git a/doc/src/compute_composition_atom.rst b/doc/src/compute_composition_atom.rst index b7890fff8b..e65a3e9c95 100644 --- a/doc/src/compute_composition_atom.rst +++ b/doc/src/compute_composition_atom.rst @@ -36,7 +36,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 17Nov2023 Define a computation that calculates a local composition vector for each atom. For a central atom with :math:`M` neighbors within the neighbor cutoff sphere, diff --git a/doc/src/compute_property_grid.rst b/doc/src/compute_property_grid.rst index 20a4f19605..a0b9aba7dc 100644 --- a/doc/src/compute_property_grid.rst +++ b/doc/src/compute_property_grid.rst @@ -61,7 +61,7 @@ varying fastest, then Y, then Z slowest. For 2d grids (in 2d simulations), the grid IDs range from 1 to Nx*Ny, with X varying fastest and Y slowest. -.. versionadded:: TBD +.. versionadded:: 17Nov2023 The *proc* attribute is the ID of the processor which owns the grid cell. Processor IDs range from 0 to Nprocs - 1, where Nprocs is the diff --git a/doc/src/compute_reduce.rst b/doc/src/compute_reduce.rst index 6820d2ee04..ba60b52563 100644 --- a/doc/src/compute_reduce.rst +++ b/doc/src/compute_reduce.rst @@ -201,7 +201,7 @@ information in this context, the *replace* keywords will extract the atom IDs for the two atoms in the bond of maximum stretch. These atom IDs and the bond stretch will be printed with thermodynamic output. -.. versionadded:: TBD +.. versionadded:: 17Nov2023 The *inputs* keyword allows selection of whether all the inputs are per-atom or local quantities. As noted above, all the inputs must be diff --git a/doc/src/compute_voronoi_atom.rst b/doc/src/compute_voronoi_atom.rst index 9607401ccd..5f00a2abab 100644 --- a/doc/src/compute_voronoi_atom.rst +++ b/doc/src/compute_voronoi_atom.rst @@ -190,7 +190,7 @@ Voro++ software in the src/VORONOI/README file. Output info """"""""""" -.. deprecated:: TBD +.. deprecated:: 17Nov2023 The *peratom* keyword was removed as it is no longer required. diff --git a/doc/src/dump.rst b/doc/src/dump.rst index e5885dc25d..bdaefb769e 100644 --- a/doc/src/dump.rst +++ b/doc/src/dump.rst @@ -613,7 +613,7 @@ when running on large numbers of processors. Note that using the "\*" and "%" characters together can produce a large number of small dump files! -.. deprecated:: TBD +.. deprecated:: 17Nov2023 The MPIIO package and the the corresponding "/mpiio" dump styles, except for the unrelated "netcdf/mpiio" style were removed from LAMMPS. diff --git a/doc/src/dump_image.rst b/doc/src/dump_image.rst index 4e227d2f72..43f182b889 100644 --- a/doc/src/dump_image.rst +++ b/doc/src/dump_image.rst @@ -599,7 +599,7 @@ image will appear. The *sfactor* value must be a value 0.0 <= *sfactor* <= 1.0, where *sfactor* = 1 is a highly reflective surface and *sfactor* = 0 is a rough non-shiny surface. -.. versionadded:: TBD +.. versionadded:: 17Nov2023 The *fsaa* keyword can be used with the dump image command to improve the image quality by enabling full scene anti-aliasing. Internally the diff --git a/doc/src/fix_deposit.rst b/doc/src/fix_deposit.rst index 4c256f524f..ff5afc2241 100644 --- a/doc/src/fix_deposit.rst +++ b/doc/src/fix_deposit.rst @@ -220,7 +220,7 @@ rotated configuration of the molecule. existing particle. LAMMPS will issue a warning if R is smaller than this value, based on the radii of existing and inserted particles. -.. versionadded:: TBD +.. versionadded:: 17Nov2023 The *var* and *set* keywords can be used together to provide a criterion for accepting or rejecting the addition of an individual atom, based on its diff --git a/doc/src/fix_pimd.rst b/doc/src/fix_pimd.rst index 91c5e58add..7468ffea13 100644 --- a/doc/src/fix_pimd.rst +++ b/doc/src/fix_pimd.rst @@ -149,7 +149,7 @@ normal-mode PIMD. A value of *cmd* is for centroid molecular dynamics only the k > 0 modes are thermostatted, not the centroid degrees of freedom. -.. versionadded:: TBD +.. versionadded:: 17Nov2023 Mode *pimd* added to fix pimd/langevin. diff --git a/src/library.cpp b/src/library.cpp index 9d542f86ae..7fc79333ad 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -617,7 +617,7 @@ combined by removing the '&' and the following newline character. After this processing the string is handed to LAMMPS for parsing and executing. -.. versionadded:: TBD +.. versionadded:: 17Nov2023 The command is now able to process long strings with triple quotes and loops using :doc:`jump SELF \ `. @@ -2484,7 +2484,7 @@ int lammps_set_variable(void *handle, char *name, char *str) * \verbatim embed:rst -.. versionadded:: TBD +.. versionadded:: 17Nov2023 This function copies a string with human readable information about a defined variable: name, style, current value(s) into the provided @@ -5581,7 +5581,7 @@ int lammps_config_has_ffmpeg_support() { * \verbatim embed:rst -.. deprecated:: TBD +.. deprecated:: 17Nov2023 LAMMPS has now exceptions always enabled, so this function will now always return 1 and can be removed from applications @@ -6658,7 +6658,7 @@ the failing MPI ranks to send messages. instance, but instead would check the global error buffer of the library interface. - .. versionchanged: TBD + .. versionchanged: 17Nov2023 The *buffer* pointer may be ``NULL``. This will clear any error status without copying the error message. diff --git a/src/version.h b/src/version.h index 35780aa785..a5844f0973 100644 --- a/src/version.h +++ b/src/version.h @@ -1,2 +1 @@ -#define LAMMPS_VERSION "3 Aug 2023" -#define LAMMPS_UPDATE "Development" +#define LAMMPS_VERSION "17 Nov 2023"