Merge branch 'master' of https://github.com/lammps/lammps into kk_pair_fix_comm

doc/src/Build_extras.rst

@@ -352,7 +352,7 @@ KIM Extra unit tests (CMake only)
 During development, testing, or debugging, if
 :doc:`unit testing <Build_development>` is enabled in LAMMPS, one can also
 enable extra tests on :doc:`KIM commands <kim_commands>` by setting the
-``KIM_EXTRA_UNITTESTS`` to *yes* (or *on*). 
+``KIM_EXTRA_UNITTESTS`` to *yes* (or *on*).
 
 Enabling the extra unit tests have some requirements,
 
@@ -367,9 +367,9 @@ Enabling the extra unit tests have some requirements,
   *conda-forge* channel as ``conda install kim-property`` if LAMMPS is built in
   Conda. More detailed information is available at:
   `kim-property installation <https://github.com/openkim/kim-property#installing-kim-property>`_.
-* It is also necessary to install 
-  ``EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000``, and 
-  ``EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005`` KIM models. 
+* It is also necessary to install
+  ``EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000``, and
+  ``EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005`` KIM models.
   See `Obtaining KIM Models <http://openkim.org/doc/usage/obtaining-models>`_
   to learn how to install a pre-build binary of the OpenKIM Repository of
   Models or see

doc/src/comm_modify.rst

@@ -84,13 +84,15 @@ information is available, then also a heuristic based on that bond length
 is computed. It is used as communication cutoff, if there is no pair
 style present and no *comm_modify cutoff* command used. Otherwise a
 warning is printed, if this bond based estimate is larger than the
-communication cutoff used. A
+communication cutoff used.
 
 The *cutoff/multi* option is equivalent to *cutoff*\ , but applies to
 communication mode *multi* instead. Since in this case the communication
 cutoffs are determined per atom type, a type specifier is needed and
 cutoff for one or multiple types can be extended. Also ranges of types
-using the usual asterisk notation can be given.
+using the usual asterisk notation can be given. For granular pair styles,
+the default cutoff is set to the sum of the current maximum atomic radii
+for each type.
 
 These are simulation scenarios in which it may be useful or even
 necessary to set a ghost cutoff > neighbor cutoff:

doc/src/fix_temp_csvr.rst

@@ -124,16 +124,16 @@ temperature is calculated taking the bias into account, bias is
 removed from each atom, thermostatting is performed on the remaining
 thermal degrees of freedom, and the bias is added back in.
 
-An important feature of these thermostats is that they have an 
+An important feature of these thermostats is that they have an
 associated effective energy that is a constant of motion.
-The effective energy is the total energy (kinetic + potential) plus 
-the accumulated kinetic energy changes due to the thermostat. The 
-latter quantity is the global scalar computed by these fixes. This 
-feature is useful to check the integration of the equations of motion 
-against discretization errors. In other words, the conservation of 
-the effective energy can be used to choose an appropriate integration 
-:doc:`timestep <timestep>`. This is similar to the usual paradigm of 
-checking the conservation of the total energy in the microcanonical 
+The effective energy is the total energy (kinetic + potential) plus
+the accumulated kinetic energy changes due to the thermostat. The
+latter quantity is the global scalar computed by these fixes. This
+feature is useful to check the integration of the equations of motion
+against discretization errors. In other words, the conservation of
+the effective energy can be used to choose an appropriate integration
+:doc:`timestep <timestep>`. This is similar to the usual paradigm of
+checking the conservation of the total energy in the microcanonical
 ensemble.
 
 

doc/src/neighbor.rst

@@ -49,7 +49,9 @@ sometimes be faster.  Either style should give the same answers.
 
 The *multi* style is a modified binning algorithm that is useful for
 systems with a wide range of cutoff distances, e.g. due to different
-size particles.  For the *bin* style, the bin size is set to 1/2 of
+size particles. For granular pair styles, cutoffs are set to the
+sum of the maximum atomic radii for each atom type.
+For the *bin* style, the bin size is set to 1/2 of
 the largest cutoff distance between any pair of atom types and a
 single set of bins is defined to search over for all atom types.  This
 can be inefficient if one pair of types has a very long cutoff, but
@@ -57,8 +59,10 @@ other type pairs have a much shorter cutoff.  For style *multi* the
 bin size is set to 1/2 of the shortest cutoff distance and multiple
 sets of bins are defined to search over for different atom types.
 This imposes some extra setup overhead, but the searches themselves
-may be much faster for the short-cutoff cases.  See the :doc:`comm_modify mode multi <comm_modify>` command for a communication option
-that may also be beneficial for simulations of this kind.
+may be much faster for the short-cutoff cases.
+See the :doc:`comm_modify mode multi <comm_modify>` command for a
+communication option that may also be beneficial for simulations of
+this kind.
 
 The :doc:`neigh_modify <neigh_modify>` command has additional options
 that control how often neighbor lists are built and which pairs are