add versionadded/versionchanged markers for features from 15Sep2022 and 3Aug2022

doc/src/compute_sna_atom.rst

@@ -228,18 +228,20 @@ command:
 See section below on output for a detailed explanation of the data
 layout in the global array.
 
+.. versionadded:: 3Aug2022
+
 The compute *sna/grid* and *sna/grid/local* commands calculate
-bispectrum components for a regular grid of points.
+bispectrum components for a regular grid of points.  These are
-These are calculated from the local density of nearby atoms *i'*
+calculated from the local density of nearby atoms *i'* around each grid
-around each grid point, as if there was a central atom *i*
+point, as if there was a central atom *i* at the grid point. This is
-at the grid point. This is useful for characterizing fine-scale
+useful for characterizing fine-scale structure in a configuration of
-structure in a configuration of atoms, and it is used
+atoms, and it is used in the `MALA package
-in the `MALA package <https://github.com/casus/mala>`_
+<https://github.com/casus/mala>`_ to build machine-learning surrogates
-to build machine-learning surrogates for finite-temperature Kohn-Sham
+for finite-temperature Kohn-Sham density functional theory (:ref:`Ellis
-density functional theory (:ref:`Ellis et al. <Ellis2021>`)
+et al. <Ellis2021>`) Neighbor atoms not in the group do not contribute
-Neighbor atoms not in the group do not contribute to the
+to the bispectrum components of the grid points. The distance cutoff
-bispectrum components of the grid points. The distance cutoff :math:`R_{ii'}`
+:math:`R_{ii'}` assumes that *i* has the same type as the neighbor atom
-assumes that *i* has the same type as the neighbor atom *i'*.
+*i'*.
 
 Compute *sna/grid* calculates a global array containing bispectrum
 components for a regular grid of points.

doc/src/fix_latte.rst

@@ -81,6 +81,8 @@ The *coulomb* argument is not yet supported by fix latte (as of Sept
 Coulomb potential as an alternative to LATTE performing the
 calculation.
 
+.. versionadded:: 15Sep2022
+
 The *exclude* argument allows this fix to work in tandem with another
 fix which may decide to delete one or more atoms of molecules.  The
 specified fixID is the ID of the other fix.

doc/src/fix_shake.rst

@@ -58,10 +58,13 @@ Description
 
 Apply bond and angle constraints to specified bonds and angles in the
 simulation by either the SHAKE or RATTLE algorithms.  This typically
-enables a longer timestep.  The SHAKE or RATTLE algorithms, however, can
+enables a longer timestep.  The SHAKE or RATTLE constraint algorithms,
-*only* be applied during molecular dynamics runs.  When this fix is used
+however, can *only* be applied during molecular dynamics runs.
-during a minimization, the constraints are *approximated* by strong
+
-harmonic restraints.
+.. versionchanged:: 15Sep2022
+
+These fixes may still be used during minimization.  In that case the
+constraints are *approximated* by strong harmonic restraints.
 
 **SHAKE vs RATTLE:**
 

doc/src/pair_modify.rst

@@ -284,6 +284,8 @@ the *pair* keyword.  Use *no* to disable, or *yes* to enable.
    The "pair_modify pair compute/tally" command must be issued
    **before** the corresponding compute style is defined.
 
+.. versionadded:: 3Aug2022
+
 The *neigh/trim* keyword controls whether an explicit cutoff is set for
 each neighbor list request issued by individual pair sub-styles when
 using :doc:`pair hybrid/overlay <pair_hybrid>`.  When this keyword is

doc/src/pair_srp.rst

@@ -132,6 +132,8 @@ at the cutoff distance :math:`r_c`.
 
 ----------
 
+.. versionadded:: 3Aug2022
+
 Pair style *srp/react* interfaces the pair style *srp* with the
 bond breaking and formation mechanisms provided by fix *bond/break*
 and fix *bond/create*, respectively. When using this pair style, whenever a

doc/src/pair_sw.rst

@@ -130,6 +130,8 @@ terms.
    so the inconsistency between potential and force can be neglected in
    actual simulations.
 
+.. versionadded:: 3Aug2022
+
 The *threebody* keyword is optional and determines whether or not the
 three-body term of the potential is calculated.  The default value is
 "on" and it is only available for the plain *sw* pair style variants,

doc/src/read_dump.rst

@@ -266,6 +266,8 @@ replace properties of the current system.  There are various options
 for how this is done, determined by the specified fields and optional
 keywords.
 
+.. versionchanged:: 3Aug2022
+
 The timestep of the snapshot becomes the current timestep for the
 simulation unless the *timestep* keyword is specified with a *no* value
 (default setting is *yes*).  See the :doc:`reset_timestep <reset_timestep>`