add some more versionadded tags, now mostly complete for 2022

This commit is contained in:
Axel Kohlmeyer
2022-09-25 09:36:27 -04:00
parent 971f5672c9
commit af3da50bda
14 changed files with 52 additions and 0 deletions

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@ -134,6 +134,8 @@ commands to write and read data using the ADIOS library.
**Authors:** Norbert Podhorszki (ORNL) from the ADIOS developer team.
.. versionadded:: 28Feb2019
**Install:**
This package has :ref:`specific installation instructions <adios>` on the :doc:`Build extras <Build_extras>` page.
@ -364,6 +366,8 @@ and also support self-propelled particles.
**Authors:** Sam Cameron (University of Bristol),
Stefan Paquay (while at Brandeis University) (initial version of fix propel/self)
.. versionadded:: 14May2021
Example inputs are in the examples/PACKAGES/brownian folder.
----------
@ -592,6 +596,8 @@ To use this package, also the :ref:`KSPACE <PKG-KSPACE>` and
**Author:** Trung Nguyen and Monica Olvera de la Cruz (Northwestern U)
.. versionadded:: 2Jul2021
**Supporting info:**
* src/DIELECTRIC: filenames -> commands
@ -1512,6 +1518,8 @@ workflows via the `MolSSI Driver Interface
**Author:** Taylor Barnes - MolSSI, taylor.a.barnes at gmail.com
.. versionadded:: 14May2021
**Install:**
This package has :ref:`specific installation instructions <mdi>` on
@ -1596,6 +1604,8 @@ of Alabama), Leonid V. Zhigilei (University of Virginia)
**Author of the *mesocnt* styles:**
Philipp Kloza (U Cambridge)
.. versionadded:: 15Jun2020
**Supporting info:**
* src/MESONT: filenames -> commands
@ -1688,6 +1698,8 @@ compiled on your system.
**Author:** Andreas Singraber
.. versionadded:: 27May2021
**Install:**
This package has :ref:`specific installation instructions <ml-hdnnp>` on the
@ -1722,6 +1734,10 @@ must be installed.
**Author:** Aidan Thompson (Sandia), Nicholas Lubbers (LANL).
.. versionadded:: 30Jun2020
.. versionadded:: 30Jun2020
**Supporting info:**
* src/ML-IAP: filenames -> commands
@ -1766,6 +1782,8 @@ Aidan Thompson^3, Gabor Csanyi^2, Christoph Ortner^4, Ralf Drautz^1.
^4: University of British Columbia, Vancouver, BC, Canada
.. versionadded:: 14May2021
**Install:**
This package has :ref:`specific installation instructions <ml-pace>` on the
@ -1829,6 +1847,8 @@ of a neural network.
This package was written by Christopher Barrett
with contributions by Doyl Dickel, Mississippi State University.
.. versionadded:: 27May2021
**Supporting info:**
* src/ML-RANN: filenames -> commands
@ -2264,6 +2284,8 @@ try to load the contained plugins automatically at start-up.
**Authors:** Axel Kohlmeyer (Temple U)
.. versionadded:: 8Apr2021
**Supporting info:**
* src/PLUGIN: filenames -> commands
@ -2907,6 +2929,8 @@ which discuss the `QuickFF <quickff_>`_ methodology.
**Author:** Steven Vandenbrande.
.. versionadded:: 1Feb2019
**Supporting info:**
* src/YAFF/README

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@ -35,6 +35,8 @@ Examples
Description
"""""""""""
.. versionadded:: 7Jan2022
Define a computation that calculates the local mass density and
temperature for each atom based on its neighbors inside a spherical
cutoff. If an atom has :math:`M` neighbors, then its local mass density is

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@ -34,6 +34,8 @@ Examples
Description
"""""""""""
.. versionadded:: 4May2022
Define a computation that calculates the change in the free energy due
to a test-area (TA) perturbation :ref:`(Gloor) <Gloor>`. The test-area
approach can be used to determine the interfacial tension of the system

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@ -189,6 +189,10 @@ to the area of that triangle.
beneficial to exclude computing interactions between the created
particles using :doc:`neigh_modify exclude <neigh_modify>`.
.. versionchanged:: 2Jun2022
The *porosity* style has been renamed to *random* with added functionality.
For the *random* style, *N* particles are added to the system at
randomly generated coordinates, which can be useful for generating an
amorphous system. The particles are created one by one using the

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@ -116,6 +116,8 @@ must be in both the specified group and region. If *group-ID* = all,
there is effectively no group criterion. If *region-ID* is specified
as NULL, no region criterion is imposed.
.. versionadded:: 4May2022
For style *variable*, all atoms for which the atom-style variable with
the given name evaluates to non-zero will be deleted. Additional atoms
can be deleted if they are in a molecule for which one or more atoms

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@ -319,6 +319,8 @@ with fix_adapt are
----------
.. versionadded:: 4May2022
The *angle* keyword uses the specified variable to change the value of
an angle coefficient over time, very similar to how the *pair* keyword
operates. The only difference is that now an angle coefficient for a

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@ -43,6 +43,8 @@ Examples
Description
"""""""""""
.. versionadded:: 3Aug2022
This command enables LAMMPS to act as a client with another server
code that will compute the total energy, per-atom forces, and total
virial for atom conformations and simulation box size/shapes that

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@ -25,6 +25,8 @@ Examples
Description
"""""""""""
.. versionadded:: 17Feb2022
Calculate the virial stress tensor through a finite difference calculation of
energy versus strain. These values can be compared to the analytic virial
tensor computed by pair styles, bond styles, etc. This can be useful for

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@ -27,6 +27,8 @@ Examples
Description
"""""""""""
.. versionadded:: 17Feb2022
Style *harmonic/cut* computes pairwise repulsive-only harmonic interactions with the formula
.. math::

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@ -32,6 +32,8 @@ Examples
Description
"""""""""""
.. versionadded:: 17Feb2022
The *ilp/tmd* style computes the registry-dependent interlayer
potential (ILP) potential for transition metal dichalcogenides (TMD)
as described in :ref:`(Ouyang7) <Ouyang7>`.

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@ -55,6 +55,8 @@ useful to know the gradient or derivative of energy, force, and stress
w.r.t. model parameters. This information can be accessed using the
related :doc:`compute mliap <compute_mliap>` command.
.. versionadded:: 2Jun2022
The descriptor style *so3* is a descriptor that is derived from the
the smooth SO(3) power spectrum with the explicit inclusion of a radial
basis :ref:`(Bartok) <Bartok2013>` and :ref:`(Zagaceta) <Zagaceta2020>`.

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@ -32,6 +32,8 @@ Examples
Description
"""""""""""
.. versionadded:: 17Feb2022
The *saip/metal* style computes the registry-dependent interlayer
potential (ILP) potential for hetero-junctions formed with hexagonal
2D materials and metal surfaces, as described in :ref:`(Ouyang6) <Ouyang6>`.

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@ -59,6 +59,8 @@ The *clear* command will unload all currently loaded plugins.
.. admonition:: Automatic loading of plugins
:class: note
.. versionadded:: 4May2022
When the environment variable ``LAMMPS_PLUGIN_PATH`` is set, then
LAMMPS will search the directory (or directories) listed in this path
for files with names that end in ``plugin.so``

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@ -162,6 +162,8 @@ Thus the third example above specifies a cylinder with its axis in the
y-direction located at x = 2.0 and z = 3.0, with a radius of 5.0, and
extending in the y-direction from -5.0 to the upper box boundary.
.. versionadded:: 4May2022
For style *ellipsoid*, an axis-aligned ellipsoid is defined. The
ellipsoid has its center at (x,y,z) and is defined by 3 axis-aligned
vectors given by A = (a,0,0); B = (0,b,0); C = (0,0,c). Note that