Merge pull request #202 from akohlmey/doc-formatting-fixes

collected documentation updates and corrections from LAMMPS-ICMS
Merge pull request #199 from akohlmey/small-changes
2016-10-06 15:49:44 -06:00 · 2016-10-06 15:49:24 -06:00 · 2016-10-06 15:47:41 -06:00 · 2016-10-06 17:23:10 -04:00 · 2016-10-06 17:21:38 -04:00 · 2016-10-06 15:48:18 -04:00
702 changed files with 64597 additions and 27474 deletions
--- a/doc/src/JPG/gran_funnel.png
+++ b/doc/src/JPG/gran_funnel.png
--- a/doc/src/JPG/gran_funnel_small.jpg
+++ b/doc/src/JPG/gran_funnel_small.jpg
--- a/doc/src/JPG/gran_mixer.png
+++ b/doc/src/JPG/gran_mixer.png
--- a/doc/src/JPG/gran_mixer_small.jpg
+++ b/doc/src/JPG/gran_mixer_small.jpg
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="29 Sep 2016 version">
+<META NAME="docnumber" CONTENT="6 Oct 2016 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@ -21,7 +21,7 @@
 <H1></H1>

 LAMMPS Documentation :c,h3
-29 Sep 2016 version :c,h4
+6 Oct 2016 version :c,h4

 Version info: :h4

--- a/doc/src/PDF/colvars-refman-lammps.pdf
+++ b/doc/src/PDF/colvars-refman-lammps.pdf
--- a/doc/src/Section_commands.txt
+++ b/doc/src/Section_commands.txt
@ -599,6 +599,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
 "viscous"_fix_viscous.html,
 "wall/colloid"_fix_wall.html,
 "wall/gran"_fix_wall_gran.html,
+"wall/gran/region"_fix_wall_gran_region.html,
 "wall/harmonic"_fix_wall.html,
 "wall/lj1043"_fix_wall.html,
 "wall/lj126"_fix_wall.html,
@ -896,7 +897,7 @@ KOKKOS, o = USER-OMP, t = OPT.
 "lubricate/poly (o)"_pair_lubricate.html,
 "lubricateU"_pair_lubricateU.html,
 "lubricateU/poly"_pair_lubricateU.html,
-"meam (o)"_pair_meam.html,
+"meam"_pair_meam.html,
 "mie/cut (o)"_pair_mie.html,
 "morse (got)"_pair_morse.html,
 "nb3b/harmonic (o)"_pair_nb3b_harmonic.html,
@ -956,7 +957,7 @@ package"_Section_start.html#start_3.
 "lj/sdk/coul/long (go)"_pair_sdk.html,
 "lj/sdk/coul/msm (o)"_pair_sdk.html,
 "lj/sf (o)"_pair_lj_sf.html,
-"meam/spline"_pair_meam_spline.html,
+"meam/spline (o)"_pair_meam_spline.html,
 "meam/sw/spline"_pair_meam_sw_spline.html,
 "mgpt"_pair_mgpt.html,
 "morse/smooth/linear"_pair_morse.html,
--- a/doc/src/Section_example.txt
+++ b/doc/src/Section_example.txt
@ -54,30 +54,30 @@ accelerate: run with various acceleration options (OpenMP, GPU, Phi)
 balance:  dynamic load balancing, 2d system
 body:     body particles, 2d system
 colloid:  big colloid particles in a small particle solvent, 2d system
-comb:	  models using the COMB potential
+comb:     models using the COMB potential
 coreshell: core/shell model using CORESHELL package
-crack:	  crack propagation in a 2d solid
+crack:    crack propagation in a 2d solid
 deposit:  deposit atoms and molecules on a surface
 dipole:   point dipolar particles, 2d system
 dreiding: methanol via Dreiding FF
 eim:      NaCl using the EIM potential
 ellipse:  ellipsoidal particles in spherical solvent, 2d system
-flow:	  Couette and Poiseuille flow in a 2d channel
+flow:     Couette and Poiseuille flow in a 2d channel
 friction: frictional contact of spherical asperities between 2d surfaces
 hugoniostat: Hugoniostat shock dynamics
-indent:	  spherical indenter into a 2d solid
+indent:   spherical indenter into a 2d solid
 kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)
-meam:	  MEAM test for SiC and shear (same as shear examples)
-melt:	  rapid melt of 3d LJ system
+meam:     MEAM test for SiC and shear (same as shear examples)
+melt:     rapid melt of 3d LJ system
 micelle:  self-assembly of small lipid-like molecules into 2d bilayers
-min:	  energy minimization of 2d LJ melt
-msst:	  MSST shock dynamics
+min:      energy minimization of 2d LJ melt
+msst:     MSST shock dynamics
 nb3b:     use of nonbonded 3-body harmonic pair style
-neb:	  nudged elastic band (NEB) calculation for barrier finding
-nemd:	  non-equilibrium MD of 2d sheared system
+neb:      nudged elastic band (NEB) calculation for barrier finding
+nemd:     non-equilibrium MD of 2d sheared system
 obstacle: flow around two voids in a 2d channel
 peptide:  dynamics of a small solvated peptide chain (5-mer)
-peri:	  Peridynamic model of cylinder impacted by indenter
+peri:     Peridynamic model of cylinder impacted by indenter
 pour:     pouring of granular particles into a 3d box, then chute flow
 prd:      parallel replica dynamics of vacancy diffusion in bulk Si
 python:   using embedded Python in a LAMMPS input script
--- a/doc/src/Section_history.txt
+++ b/doc/src/Section_history.txt
@ -37,7 +37,7 @@ pitfalls or alternatives.

 Please see some of the closed issues for examples of how to
 suggest code enhancements, submit proposed changes, or report
-elated issues and how they are resoved. 
+possible bugs and how they are resoved.

 As an alternative to using GitHub, you may e-mail the
 "core developers"_http://lammps.sandia.gov/authors.html or send
--- a/doc/src/Section_howto.txt
+++ b/doc/src/Section_howto.txt
@ -68,7 +68,7 @@ Look at the {in.chain} input script provided in the {bench} directory
 of the LAMMPS distribution to see the original script that these 2
 scripts are based on.  If that script had the line

-restart	        50 tmp.restart :pre
+restart         50 tmp.restart :pre

 added to it, it would produce 2 binary restart files (tmp.restart.50
 and tmp.restart.100) as it ran.
@ -76,17 +76,17 @@ and tmp.restart.100) as it ran.
 This script could be used to read the 1st restart file and re-run the
 last 50 timesteps:

-read_restart	tmp.restart.50 :pre
+read_restart    tmp.restart.50 :pre

-neighbor	0.4 bin
-neigh_modify	every 1 delay 1 :pre
+neighbor        0.4 bin
+neigh_modify    every 1 delay 1 :pre

-fix		1 all nve
-fix		2 all langevin 1.0 1.0 10.0 904297 :pre
+fix             1 all nve
+fix             2 all langevin 1.0 1.0 10.0 904297 :pre

-timestep	0.012 :pre
+timestep        0.012 :pre

-run		50 :pre
+run             50 :pre

 Note that the following commands do not need to be repeated because
 their settings are included in the restart file: {units, atom_style,
@ -107,25 +107,25 @@ lmp_g++ -r tmp.restart.50 tmp.restart.data :pre

 Then, this script could be used to re-run the last 50 steps:

-units		lj
-atom_style	bond
-pair_style	lj/cut 1.12
-pair_modify	shift yes
-bond_style	fene
+units           lj
+atom_style      bond
+pair_style      lj/cut 1.12
+pair_modify     shift yes
+bond_style      fene
 special_bonds   0.0 1.0 1.0 :pre

-read_data	tmp.restart.data :pre
+read_data       tmp.restart.data :pre

-neighbor	0.4 bin
-neigh_modify	every 1 delay 1 :pre
+neighbor        0.4 bin
+neigh_modify    every 1 delay 1 :pre

-fix		1 all nve
-fix		2 all langevin 1.0 1.0 10.0 904297 :pre
+fix             1 all nve
+fix             2 all langevin 1.0 1.0 10.0 904297 :pre

-timestep	0.012 :pre
+timestep        0.012 :pre

-reset_timestep	50
-run		50 :pre
+reset_timestep  50
+run             50 :pre

 Note that nearly all the settings specified in the original {in.chain}
 script must be repeated, except the {pair_coeff} and {bond_coeff}
@ -2092,11 +2092,11 @@ lattice      fcc 5.376 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
 region       box block 0 4 0 4 0 4
 create_box   1 box
 create_atoms 1 box
-mass	     1 39.948
+mass         1 39.948
 pair_style   lj/cut 13.0
 pair_coeff   * * 0.2381 3.405
 timestep     $\{dt\}
-thermo	     $d :pre
+thermo       $d :pre

 # equilibration and thermalization :pre

--- a/doc/src/Section_python.txt
+++ b/doc/src/Section_python.txt
@ -552,32 +552,32 @@ lmp.command(cmd)         # invoke a single LAMMPS command, cmd = "run 100" :pre

 xlo = lmp.extract_global(name,type)  # extract a global quantity
                                     # name = "boxxlo", "nlocal", etc
-				     # type = 0 = int
-				     #        1 = double :pre
+                                     # type = 0 = int
+                                     #        1 = double :pre

 coords = lmp.extract_atom(name,type)      # extract a per-atom quantity
                                          # name = "x", "type", etc
-				          # type = 0 = vector of ints
-				          #        1 = array of ints
-				          #        2 = vector of doubles
-				          #        3 = array of doubles :pre
+                                          # type = 0 = vector of ints
+                                          #        1 = array of ints
+                                          #        2 = vector of doubles
+                                          #        3 = array of doubles :pre

 eng = lmp.extract_compute(id,style,type)  # extract value(s) from a compute
 v3 = lmp.extract_fix(id,style,type,i,j)   # extract value(s) from a fix
                                          # id = ID of compute or fix
-					  # style = 0 = global data
-					  #	    1 = per-atom data
-					  #         2 = local data
-					  # type = 0 = scalar
-					  #	   1 = vector
-					  #        2 = array
-					  # i,j = indices of value in global vector or array :pre
+                                          # style = 0 = global data
+                                          #         1 = per-atom data
+                                          #         2 = local data
+                                          # type = 0 = scalar
+                                          #        1 = vector
+                                          #        2 = array
+                                          # i,j = indices of value in global vector or array :pre

 var = lmp.extract_variable(name,group,flag)  # extract value(s) from a variable
-	                                     # name = name of variable
-					     # group = group ID (ignored for equal-style variables)
-					     # flag = 0 = equal-style variable
-					     #        1 = atom-style variable :pre
+                                             # name = name of variable
+                                             # group = group ID (ignored for equal-style variables)
+                                             # flag = 0 = equal-style variable
+                                             #        1 = atom-style variable :pre

 flag = lmp.set_variable(name,value)       # set existing named string-style variable to value, flag = 0 if successful
 natoms = lmp.get_natoms()                 # total # of atoms as int
--- a/doc/src/atom_style.txt
+++ b/doc/src/atom_style.txt
@ -14,7 +14,7 @@ atom_style style args :pre

 style = {angle} or {atomic} or {body} or {bond} or {charge} or {dipole} or \
        {dpd} or {electron} or {ellipsoid} or {full} or {line} or {meso} or \
-	{molecular} or {peri} or {smd} or {sphere} or {tri} or \
+        {molecular} or {peri} or {smd} or {sphere} or {tri} or \
        {template} or {hybrid} :ulb,l
  args = none for any style except the following
  {body} args = bstyle bstyle-args
--- a/doc/src/balance.txt
+++ b/doc/src/balance.txt
@ -319,14 +319,16 @@ accurately would be impractical and slow down the computation.
 Instead the {weight} keyword implements several ways to influence the
 per-particle weights empirically by properties readily available or
 using the user's knowledge of the system.  Note that the absolute
-value of the weights are not important; their ratio is what is used to
-assign particles to processors.  A particle with a weight of 2.5 is
-assumed to require 5x more computational than a particle with a weight
-of 0.5.
+value of the weights are not important; only their relative ratios
+affect which particle is assigned to which processor.  A particle with
+a weight of 2.5 is assumed to require 5x more computational than a
+particle with a weight of 0.5.  For all the options below the weight
+assigned to a particle must be a positive value; an error will be be
+generated if a weight is <= 0.0.

 Below is a list of possible weight options with a short description of
 their usage and some example scenarios where they might be applicable.
-It is possible to apply multiple weight flags and the weightins they
+It is possible to apply multiple weight flags and the weightings they
 induce will be combined through multiplication.  Most of the time,
 however, it is sufficient to use just one method.

@ -346,13 +348,24 @@ the computational cost for each group remains constant over time.
 This is a purely empirical weighting, so a series test runs to tune
 the assigned weight factors for optimal performance is recommended.

-The {neigh} weight style assigns a weight to each particle equal to
-its number of neighbors divided by the avergage number of neighbors
-for all particles.  The {factor} setting is then appied as an overall
-scale factor to all the {neigh} weights which allows tuning of the
-impact of this style.  A {factor} smaller than 1.0 (e.g. 0.8) often
-results in the best performance, since the number of neighbors is
-likely to overestimate the ideal weight.
+The {neigh} weight style assigns the same weight to each particle
+owned by a processor based on the total count of neighbors in the
+neighbor list owned by that processor.  The motivation is that more
+neighbors means a higher computational cost.  The style does not use
+neighbors per atom to assign a unique weight to each atom, because
+that value can vary depending on how the neighbor list is built.
+
+The {factor} setting is applied as an overall scale factor to the
+{neigh} weights which allows adjustment of their impact on the
+balancing operation.  The specified {factor} value must be positive.
+A value > 1.0 will increase the weights so that the ratio of max
+weight to min weight increases by {factor}.  A value < 1.0 will
+decrease the weights so that the ratio of max weight to min weight
+decreases by {factor}.  In both cases the intermediate weight values
+increase/decrease proportionally as well.  A value = 1.0 has no effect
+on the {neigh} weights.  As a rule of thumb, we have found a {factor}
+of about 0.8 often results in the best performance, since the number
+of neighbors is likely to overestimate the ideal weight.

 This weight style is useful for systems where there are different
 cutoffs used for different pairs of interations, or the density
@ -368,35 +381,48 @@ weights are computed.  Inserting a "run 0 post no"_run.html command
 before issuing the {balance} command, may be a workaround for this
 case, as it will induce the neighbor list to be built.

-The {time} weight style uses "timer data"_timer.html to estimate a
-weight for each particle.  It uses the same information as is used for
-the "MPI task timing breakdown"_Section_start.html#start_8, namely,
-the timings for sections {Pair}, {Bond}, {Kspace}, and {Neigh}.  The
-time spent in these sections of the timestep are measured for each MPI
-rank, summed up, then converted into a cost for each MPI rank relative
-to the average cost over all MPI ranks for the same sections.  That
-cost then evenly distributed over all the particles owned by that
-rank.  Finally, the {factor} setting is then appied as an overall
-scale factor to all the {time} weights as a way to fine tune the
-impact of this weight style.  Good {factor} values to use are
-typically between 0.5 and 1.2.
+The {time} weight style uses "timer data"_timer.html to estimate
+weights.  It assigns the same weight to each particle owned by a
+processor based on the total computational time spent by that
+processor.  See details below on what time window is used.  It uses
+the same timing information as is used for the "MPI task timing
+breakdown"_Section_start.html#start_8, namely, for sections {Pair},
+{Bond}, {Kspace}, and {Neigh}.  The time spent in those portions of
+the timestep are measured for each MPI rank, summed, then divided by
+the number of particles owned by that processor.  I.e. the weight is
+an effective CPU time/particle averaged over the particles on that
+processor.

-For the {balance} command the timing data is taken from the preceding
-run command, i.e. the timings are for the entire previous run.  For
-the {fix balance} command the timing data is for only the timesteps
-since the last balancing operation was performed.  If timing
-information for the required sections is not available, e.g. at the
-beginning of a run, or when the "timer"_timer.html command is set to
-either {loop} or {off}, a warning is issued.  In this case no weights
-are computed.
+The {factor} setting is applied as an overall scale factor to the
+{time} weights which allows adjustment of their impact on the
+balancing operation.  The specified {factor} value must be positive.
+A value > 1.0 will increase the weights so that the ratio of max
+weight to min weight increases by {factor}.  A value < 1.0 will
+decrease the weights so that the ratio of max weight to min weight
+decreases by {factor}.  In both cases the intermediate weight values
+increase/decrease proportionally as well.  A value = 1.0 has no effect
+on the {time} weights.  As a rule of thumb, effective values to use
+are typicall between 0.5 and 1.2.  Note that the timer quantities
+mentioned above can be affected by communication which occurs in the
+middle of the operations, e.g. pair styles with intermediate exchange
+of data witin the force computation, and likewise for KSpace solves.

-This weight style is the most generic one, and should be tried first,
-if neither the {group} or {neigh} styles are easily applicable.
-However, since the computed cost function is averaged over all local
-particles this weight style may not be highly accurate.  This style
-can also be effective as a secondary weight in combination with either
-{group} or {neigh} to offset some of inaccuracies in either of those
-heuristics.
+When using the {time} weight style with the {balance} command, the
+timing data is taken from the preceding run command, i.e. the timings
+are for the entire previous run.  For the {fix balance} command the
+timing data is for only the timesteps since the last balancing
+operation was performed.  If timing information for the required
+sections is not available, e.g. at the beginning of a run, or when the
+"timer"_timer.html command is set to either {loop} or {off}, a warning
+is issued.  In this case no weights are computed.
+
+NOTE: The {time} weight style is the most generic option, and should
+be tried first, unless the {group} style is easily applicable.
+However, since the computed cost function is averaged over all
+particles on a processor, the weights may not be highly accurate.
+This style can also be effective as a secondary weight in combination
+with either {group} or {neigh} to offset some of inaccuracies in
+either of those heuristics.

 The {var} weight style assigns per-particle weights by evaluating an
 "atom-style variable"_variable.html specified by {name}.  This is
--- a/doc/src/comm_modify.txt
+++ b/doc/src/comm_modify.txt
@ -135,7 +135,7 @@ and angular momentum of a particle.  If the {vel} option is set to
 {yes}, then ghost atoms store these quantities; if {no} then they do
 not.  The {yes} setting is needed by some pair styles which require
 the velocity state of both the I and J particles to compute a pairwise
-I,J interaction.
+I,J interaction, as well as by some compute and fix commands.

 Note that if the "fix deform"_fix_deform.html command is being used
 with its "remap v" option enabled, then the velocities for ghost atoms
--- a/doc/src/compute_heat_flux.txt
+++ b/doc/src/compute_heat_flux.txt
@ -152,11 +152,11 @@ lattice      fcc 5.376 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
 region       box block 0 4 0 4 0 4
 create_box   1 box
 create_atoms 1 box
-mass	     1 39.948
+mass         1 39.948
 pair_style   lj/cut 13.0
 pair_coeff   * * 0.2381 3.405
 timestep     $\{dt\}
-thermo	     $d :pre
+thermo       $d :pre

 # equilibration and thermalization :pre

--- a/doc/src/compute_pe_atom.txt
+++ b/doc/src/compute_pe_atom.txt
@ -52,7 +52,7 @@ The KSpace contribution is calculated using the method in
 "(Heyes)"_#Heyes for the Ewald method and a related method for PPPM,
 as specified by the "kspace_style pppm"_kspace_style.html command.
 For PPPM, the calcluation requires 1 extra FFT each timestep that
-per-atom energy is calculated.  Thie "document"_PDF/kspace.pdf
+per-atom energy is calculated.  This "document"_PDF/kspace.pdf
 describes how the long-range per-atom energy calculation is performed.

 Various fixes can contribute to the per-atom potential energy of the
@ -68,9 +68,9 @@ As an example of per-atom potential energy compared to total potential
 energy, these lines in an input script should yield the same result
 in the last 2 columns of thermo output:

-compute		peratom all pe/atom
-compute		pe all reduce sum c_peratom
-thermo_style	custom step temp etotal press pe c_pe :pre
+compute        peratom all pe/atom
+compute        pe all reduce sum c_peratom
+thermo_style   custom step temp etotal press pe c_pe :pre

 NOTE: The per-atom energy does not any Lennard-Jones tail corrections
 invoked by the "pair_modify tail yes"_pair_modify.html command, since
--- a/doc/src/compute_property_atom.txt
+++ b/doc/src/compute_property_atom.txt
@ -16,20 +16,20 @@ ID, group-ID are documented in "compute"_compute.html command :ulb,l
 property/atom = style name of this compute command :l
 input = one or more atom attributes :l
  possible attributes = id, mol, proc, type, mass,
- 	                x, y, z, xs, ys, zs, xu, yu, zu, ix, iy, iz,
-		        vx, vy, vz, fx, fy, fz,
+                        x, y, z, xs, ys, zs, xu, yu, zu, ix, iy, iz,
+                        vx, vy, vz, fx, fy, fz,
                        q, mux, muy, muz, mu,
                        radius, diameter, omegax, omegay, omegaz,
-			angmomx, angmomy, angmomz,
-			shapex,shapey, shapez,
-		        quatw, quati, quatj, quatk, tqx, tqy, tqz,
-			end1x, end1y, end1z, end2x, end2y, end2z,
-			corner1x, corner1y, corner1z,
-			corner2x, corner2y, corner2z,
-			corner3x, corner3y, corner3z,
-			nbonds,
+                        angmomx, angmomy, angmomz,
+                        shapex,shapey, shapez,
+                        quatw, quati, quatj, quatk, tqx, tqy, tqz,
+                        end1x, end1y, end1z, end2x, end2y, end2z,
+                        corner1x, corner1y, corner1z,
+                        corner2x, corner2y, corner2z,
+                        corner3x, corner3y, corner3z,
+                        nbonds,
                        vfrac, s0,
-			spin, eradius, ervel, erforce,
+                        spin, eradius, ervel, erforce,
                        rho, drho, e, de, cv,
                        i_name, d_name :pre
      id = atom ID
--- a/doc/src/compute_property_local.txt
+++ b/doc/src/compute_property_local.txt
@ -15,12 +15,12 @@ compute ID group-ID property/local attribute1 attribute2 ... keyword args ... :p
 ID, group-ID are documented in "compute"_compute.html command :ulb,l
 property/local = style name of this compute command :l
 one or more attributes may be appended :l
-  possible attributes =  natom1 natom2 ntype1 ntype2
-		         patom1 patom2 ptype1 ptype2
-                         batom1 batom2 btype
-                         aatom1 aatom2 aatom3 atype
-                         datom1 datom2 datom3 dtype
-                         iatom1 iatom2 iatom3 itype :pre
+  possible attributes = natom1 natom2 ntype1 ntype2
+                        patom1 patom2 ptype1 ptype2
+                        batom1 batom2 btype
+                        aatom1 aatom2 aatom3 atype
+                        datom1 datom2 datom3 dtype
+                        iatom1 iatom2 iatom3 itype :pre

     natom1, natom2 = IDs of 2 atoms in each pair (within neighbor cutoff)
     ntype1, ntype2 = type of 2 atoms in each pair (within neighbor cutoff)
@ -129,8 +129,6 @@ The attributes that start with "a", "d", "i", refer to similar values
 for "angles"_angle_style.html, "dihedrals"_dihedral_style.html, and
 "impropers"_improper_style.html.

-The optional {cutoff} keyword
-
 [Output info:]

 This compute calculates a local vector or local array depending on the
--- a/doc/src/compute_reduce.txt
+++ b/doc/src/compute_reduce.txt
@ -155,8 +155,8 @@ Thus, for example, if you wish to use this compute to find the bond
 with maximum stretch, you can do it as follows:

 compute 1 all property/local batom1 batom2
-compute	2 all bond/local dist
-compute	3 all reduce max c_1\[1\] c_1\[2\] c_2 replace 1 3 replace 2 3
+compute 2 all bond/local dist
+compute 3 all reduce max c_1\[1\] c_1\[2\] c_2 replace 1 3 replace 2 3
 thermo_style custom step temp c_3\[1\] c_3\[2\] c_3\[3\] :pre

 The first two input values in the compute reduce command are vectors
--- a/doc/src/compute_rigid_local.txt
+++ b/doc/src/compute_rigid_local.txt
@ -17,11 +17,11 @@ rigid/local = style name of this compute command :l
 rigidID = ID of fix rigid/small command or one of its variants :l
 input = one or more rigid body attributes :l
  possible attributes = id, mol, mass,
- 	                x, y, z, xu, yu, zu, ix, iy, iz
-		        vx, vy, vz, fx, fy, fz, 
+                        x, y, z, xu, yu, zu, ix, iy, iz
+                        vx, vy, vz, fx, fy, fz,
                        omegax, omegay, omegaz,
-			angmomx, angmomy, angmomz,
-		        quatw, quati, quatj, quatk, 
+                        angmomx, angmomy, angmomz,
+                        quatw, quati, quatj, quatk,
                        tqx, tqy, tqz,
                        inertiax, inertiay, inertiaz
      id = atom ID of atom within body which owns body properties
--- a/doc/src/compute_stress_atom.txt
+++ b/doc/src/compute_stress_atom.txt
@ -128,10 +128,10 @@ d = dimension and V is the volume of the system, the result should be
 These lines in an input script for a 3d system should yield that
 result.  I.e. the last 2 columns of thermo output will be the same:

-compute		peratom all stress/atom NULL
-compute		p all reduce sum c_peratom\[1\] c_peratom\[2\] c_peratom\[3\]
-variable	press equal -(c_p\[1\]+c_p\[2\]+c_p\[3\])/(3*vol)
-thermo_style	custom step temp etotal press v_press :pre
+compute        peratom all stress/atom NULL
+compute        p all reduce sum c_peratom\[1\] c_peratom\[2\] c_peratom\[3\]
+variable       press equal -(c_p\[1\]+c_p\[2\]+c_p\[3\])/(3*vol)
+thermo_style   custom step temp etotal press v_press :pre

 [Output info:]

--- a/doc/src/compute_temp_asphere.txt
+++ b/doc/src/compute_temp_asphere.txt
--- a/doc/src/compute_temp_body.txt
+++ b/doc/src/compute_temp_body.txt
--- a/doc/src/compute_temp_sphere.txt
+++ b/doc/src/compute_temp_sphere.txt
--- a/doc/src/create_atoms.txt
+++ b/doc/src/create_atoms.txt
@ -218,14 +218,14 @@ larger version.

 variable        x equal 100
 variable        y equal 25
-lattice		hex 0.8442
-region		box block 0 $x 0 $y -0.5 0.5
-create_box	1 box :pre
+lattice         hex 0.8442
+region          box block 0 $x 0 $y -0.5 0.5
+create_box      1 box :pre

 variable        xx equal 0.0
 variable        yy equal 0.0
 variable        v equal "(0.2*v_y*ylat * cos(v_xx/xlat * 2.0*PI*4.0/v_x) + 0.5*v_y*ylat - v_yy) > 0.0"
-create_atoms	1 box var v set x xx set y yy :pre
+create_atoms    1 box var v set x xx set y yy :pre

 :c,image(JPG/sinusoid_small.jpg,JPG/sinusoid.jpg)

--- a/doc/src/dump.txt
+++ b/doc/src/dump.txt
@ -55,13 +55,13 @@ args = list of arguments for a particular style :l

  {custom} or {custom/gz} or {custom/mpiio} args = list of atom attributes
    possible attributes = id, mol, proc, procp1, type, element, mass,
-			  x, y, z, xs, ys, zs, xu, yu, zu, 
-			  xsu, ysu, zsu, ix, iy, iz,
-			  vx, vy, vz, fx, fy, fz,
+                          x, y, z, xs, ys, zs, xu, yu, zu,
+                          xsu, ysu, zsu, ix, iy, iz,
+                          vx, vy, vz, fx, fy, fz,
                          q, mux, muy, muz, mu,
                          radius, diameter, omegax, omegay, omegaz,
-			  angmomx, angmomy, angmomz, tqx, tqy, tqz,
-			  c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :pre
+                          angmomx, angmomy, angmomz, tqx, tqy, tqz,
+                          c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :pre

      id = atom ID
      mol = molecule ID
--- a/doc/src/dump_custom_vtk.txt
+++ b/doc/src/dump_custom_vtk.txt
@ -20,14 +20,14 @@ file = name of file to write dump info to :l
 args = list of arguments for a particular style :l
  {custom/vtk} args = list of atom attributes
    possible attributes = id, mol, proc, procp1, type, element, mass,
-			  x, y, z, xs, ys, zs, xu, yu, zu, 
-			  xsu, ysu, zsu, ix, iy, iz,
-			  vx, vy, vz, fx, fy, fz,
+                          x, y, z, xs, ys, zs, xu, yu, zu,
+                          xsu, ysu, zsu, ix, iy, iz,
+                          vx, vy, vz, fx, fy, fz,
                          q, mux, muy, muz, mu,
                          radius, diameter, omegax, omegay, omegaz,
-			  angmomx, angmomy, angmomz, tqx, tqy, tqz,
-			  spin, eradius, ervel, erforce,
-			  c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :pre
+                          angmomx, angmomy, angmomz, tqx, tqy, tqz,
+                          spin, eradius, ervel, erforce,
+                          c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :pre

      id = atom ID
      mol = molecule ID
--- a/doc/src/dump_modify.txt
+++ b/doc/src/dump_modify.txt
@ -49,8 +49,8 @@ keyword = {append} or {buffer} or {element} or {every} or {fileper} or {first} o
     -N = sort per-atom lines in descending order by the Nth column
  {thresh} args = attribute operation value
    attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style
-    operation = "<" or "<=" or ">" or ">=" or "==" or "!="
-    value = numeric value to compare to
+    operation = "<" or "<=" or ">" or ">=" or "==" or "!=" or "|^"
+    value = numeric value to compare to, or LAST
    these 3 args can be replaced by the word "none" to turn off thresholding
  {unwrap} arg = {yes} or {no} :pre
 these keywords apply only to the {image} and {movie} "styles"_dump_image.html :l
@ -215,17 +215,17 @@ to the dump file.  The {every} keyword cannot be used with the dump
 For example, the following commands will
 write snapshots at timesteps 0,10,20,30,100,200,300,1000,2000,etc:

-variable	s equal logfreq(10,3,10)
-dump		1 all atom 100 tmp.dump
-dump_modify	1 every v_s first yes :pre
+variable        s equal logfreq(10,3,10)
+dump            1 all atom 100 tmp.dump
+dump_modify     1 every v_s first yes :pre

 The following commands would write snapshots at the timesteps listed
 in file tmp.times:

 variable        f file tmp.times
-variable	s equal next(f)
-dump		1 all atom 100 tmp.dump
-dump_modify	1 every v_s :pre
+variable        s equal next(f)
+dump            1 all atom 100 tmp.dump
+dump_modify     1 every v_s :pre

 NOTE: When using a file-style variable with the {every} keyword, the
 file of timesteps must list a first timestep that is beyond the
@ -458,16 +458,59 @@ as well as memory, versus unsorted output.

 The {thresh} keyword only applies to the dump {custom}, {cfg},
 {image}, and {movie} styles.  Multiple thresholds can be specified.
-Specifying "none" turns off all threshold criteria.  If thresholds are
+Specifying {none} turns off all threshold criteria.  If thresholds are
 specified, only atoms whose attributes meet all the threshold criteria
 are written to the dump file or included in the image.  The possible
 attributes that can be tested for are the same as those that can be
 specified in the "dump custom"_dump.html command, with the exception
 of the {element} attribute, since it is not a numeric value.  Note
-that different attributes can be output by the dump custom command
-than are used as threshold criteria by the dump_modify command.
-E.g. you can output the coordinates and stress of atoms whose energy
-is above some threshold.
+that a different attributes can be used than those output by the "dump
+custom"_dump.html command.  E.g. you can output the coordinates and
+stress of atoms whose energy is above some threshold.
+
+If an atom-style variable is used as the attribute, then it can
+produce continuous numeric values or effective Boolean 0/1 values
+which may be useful for the comparision operation.  Boolean values can
+be generated by variable formulas that use comparison or Boolean math
+operators or special functions like gmask() and rmask() and grmask().
+See the "variable"_variable.html command doc page for details.
+
+NOTE: The LAST option, discussed below, is not yet implemented.  It
+will be soon.
+
+The specified value must be a simple numeric value or the word LAST.
+If LAST is used, it refers to the value of the attribute the last time
+the dump command was invoked to produce a snapshot.  This is a way to
+only dump atoms whose attribute has changed (or not changed).
+Three examples follow.
+
+dump_modify ... thresh ix != LAST :pre
+
+This will dump atoms which have crossed the periodic x boundary of the
+simulation box since the last dump.  (Note that atoms that crossed
+once and then crossed back between the two dump timesteps would not be
+included.)
+
+region foo sphere 10 20 10 15
+variable inregion atom rmask(foo)
+dump_modify ... thresh v_inregion |^ LAST
+
+This will dump atoms which crossed the boundary of the spherical
+region since the last dump.
+
+variable charge atom "(q > 0.5) || (q < -0.5)"
+dump_modify ... thresh v_charge |^ LAST
+
+This will dump atoms whose charge has changed from an absolute value
+less than 1/2 to greater than 1/2 (or vice versa) since the last dump.
+E.g. due to reactions and subsequent charge equilibration in a
+reactive force field.
+
+The choice of operations are the usual comparison operators.  The XOR
+operation (exclusive or) is also included as "|^".  In this context,
+XOR means that if either the attribute or value is 0.0 and the other
+is non-zero, then the result is "true" and the threshold criterion is
+met.  Otherwise it is not met.

 :line

@ -643,10 +686,10 @@ this is used.
 variable        colors string &
                "red green blue yellow white &
                purple pink orange lime gray"
-variable	mol atom mol%10
-dump		1 all image 250 image.*.jpg v_mol type &
-		zoom 1.6 adiam 1.5
-dump_modify	1 pad 5 amap 0 10 sa 1 10 $\{colors\} :pre
+variable        mol atom mol%10
+dump            1 all image 250 image.*.jpg v_mol type &
+                zoom 1.6 adiam 1.5
+dump_modify     1 pad 5 amap 0 10 sa 1 10 $\{colors\} :pre

 In this case, 10 colors are defined, and molecule IDs are
 mapped to one of the colors, even if there are 1000s of molecules.
--- a/doc/src/fix_ave_correlate.txt
+++ b/doc/src/fix_ave_correlate.txt
@ -58,7 +58,7 @@ keyword = {type} or {ave} or {start} or {prefactor} or {file} or {overwrite} or
 fix 1 all ave/correlate 5 100 1000 c_myTemp file temp.correlate
 fix 1 all ave/correlate 1 50 10000 &
          c_thermo_press\[1\] c_thermo_press\[2\] c_thermo_press\[3\] &
-	  type upper ave running title1 "My correlation data" :pre
+          type upper ave running title1 "My correlation data" :pre
 fix 1 all ave/correlate 1 50 10000 c_thermo_press\[*\]

 [Description:]
--- a/doc/src/fix_ave_correlate_long.txt
+++ b/doc/src/fix_ave_correlate_long.txt
@ -55,7 +55,7 @@ keyword = {type} or {start} or {file} or {overwrite} or {title1} or {title2} or
 fix 1 all ave/correlate/long 5 1000 c_myTemp file temp.correlate
 fix 1 all ave/correlate/long 1 10000 &
          c_thermo_press\[1\] c_thermo_press\[2\] c_thermo_press\[3\] &
-	  type upper title1 "My correlation data" nlen 15 ncount 3 :pre
+          type upper title1 "My correlation data" nlen 15 ncount 3 :pre

 [Description:]

--- a/doc/src/fix_bond_break.txt
+++ b/doc/src/fix_bond_break.txt
--- a/doc/src/fix_bond_create.txt
+++ b/doc/src/fix_bond_create.txt
--- a/doc/src/fix_bond_swap.txt
+++ b/doc/src/fix_bond_swap.txt
--- a/doc/src/fix_deform.txt
+++ b/doc/src/fix_deform.txt
@ -28,7 +28,7 @@ parameter = {x} or {y} or {z} or {xy} or {xz} or {yz}
        factor = multiplicative factor for change in box length at end of run
      {vel} value = V
        V = change box length at this velocity (distance/time units),
-	    effectively an engineering strain rate
+            effectively an engineering strain rate
      {erate} value = R
        R = engineering strain rate (1/time units)
      {trate} value = R
@ -36,10 +36,10 @@ parameter = {x} or {y} or {z} or {xy} or {xz} or {yz}
      {volume} value = none = adjust this dim to preserve volume of system
      {wiggle} values = A Tp
        A = amplitude of oscillation (distance units)
-	Tp = period of oscillation (time units)
+        Tp = period of oscillation (time units)
      {variable} values = v_name1 v_name2
        v_name1 = variable with name1 for box length change as function of time
-	v_name2 = variable with name2 for change rate as function of time
+        v_name2 = variable with name2 for change rate as function of time
  {xy}, {xz}, {yz} args = style value
    style = {final} or {delta} or {vel} or {erate} or {trate} or {wiggle}
      {final} value = tilt
@ -48,17 +48,17 @@ parameter = {x} or {y} or {z} or {xy} or {xz} or {yz}
        dtilt = change in tilt factor at end of run (distance units)
      {vel} value = V
        V = change tilt factor at this velocity (distance/time units),
-	    effectively an engineering shear strain rate
+            effectively an engineering shear strain rate
      {erate} value = R
        R = engineering shear strain rate (1/time units)
      {trate} value = R
        R = true shear strain rate (1/time units)
      {wiggle} values = A Tp
        A = amplitude of oscillation (distance units)
-	Tp = period of oscillation (time units)
+        Tp = period of oscillation (time units)
      {variable} values = v_name1 v_name2
        v_name1 = variable with name1 for tilt change as function of time
-	v_name2 = variable with name2 for change rate as function of time :pre
+        v_name2 = variable with name2 for change rate as function of time :pre

 zero or more keyword/value pairs may be appended :l
 keyword = {remap} or {flip} or {units} :l
--- a/doc/src/fix_lb_fluid.txt
+++ b/doc/src/fix_lb_fluid.txt
--- a/doc/src/fix_lb_momentum.txt
+++ b/doc/src/fix_lb_momentum.txt
--- a/doc/src/fix_lb_pc.txt
+++ b/doc/src/fix_lb_pc.txt
--- a/doc/src/fix_lb_rigid_pc_sphere.txt
+++ b/doc/src/fix_lb_rigid_pc_sphere.txt
--- a/doc/src/fix_lb_viscous.txt
+++ b/doc/src/fix_lb_viscous.txt
--- a/doc/src/fix_msst.txt
+++ b/doc/src/fix_msst.txt
@ -120,7 +120,7 @@ The global vector contains four values in this order:
 To print these quantities to the log file with descriptive column
 headers, the following LAMMPS commands are suggested:

-fix		 msst all msst z 
+fix              msst all msst z
 fix_modify       msst energy yes
 variable dhug    equal f_msst\[1\]
 variable dray    equal f_msst\[2\]
--- a/doc/src/fix_nph_asphere.txt
+++ b/doc/src/fix_nph_asphere.txt
--- a/doc/src/fix_nph_body.txt
+++ b/doc/src/fix_nph_body.txt
--- a/doc/src/fix_nph_sphere.txt
+++ b/doc/src/fix_nph_sphere.txt
--- a/doc/src/fix_npt_asphere.txt
+++ b/doc/src/fix_npt_asphere.txt
--- a/doc/src/fix_npt_body.txt
+++ b/doc/src/fix_npt_body.txt
--- a/doc/src/fix_npt_sphere.txt
+++ b/doc/src/fix_npt_sphere.txt
--- a/doc/src/fix_nve_asphere.txt
+++ b/doc/src/fix_nve_asphere.txt
--- a/doc/src/fix_nve_asphere_noforce.txt
+++ b/doc/src/fix_nve_asphere_noforce.txt
--- a/doc/src/fix_nve_body.txt
+++ b/doc/src/fix_nve_body.txt
--- a/doc/src/fix_nve_line.txt
+++ b/doc/src/fix_nve_line.txt
--- a/doc/src/fix_nve_sphere.txt
+++ b/doc/src/fix_nve_sphere.txt
--- a/doc/src/fix_nve_tri.txt
+++ b/doc/src/fix_nve_tri.txt
--- a/doc/src/fix_nvt_asphere.txt
+++ b/doc/src/fix_nvt_asphere.txt
--- a/doc/src/fix_nvt_body.txt
+++ b/doc/src/fix_nvt_body.txt
--- a/doc/src/fix_nvt_sphere.txt
+++ b/doc/src/fix_nvt_sphere.txt
--- a/doc/src/fix_qbmsst.txt
+++ b/doc/src/fix_qbmsst.txt
@ -167,14 +167,14 @@ headers, the following LAMMPS commands are suggested. Here the
 the thermo keyword {etotal} to print the quantity <i>etot</i>.  See
 also the "thermo_style"_thermo_style.html command.

-fix		fix_id all msst z 
-fix_modify	fix_id energy yes
-variable	dhug	equal f_fix_id\[1\]
-variable	dray	equal f_fix_id\[2\]
-variable	lgr_vel	equal f_fix_id\[3\]
-variable	lgr_pos	equal f_fix_id\[4\]
-variable	T_qm	equal f_fix_id\[5\]
-thermo_style	custom	step temp ke pe lz pzz etotal v_dhug v_dray v_lgr_vel v_lgr_pos v_T_qm f_fix_id :pre
+fix             fix_id all msst z
+fix_modify      fix_id energy yes
+variable        dhug    equal f_fix_id\[1\]
+variable        dray    equal f_fix_id\[2\]
+variable        lgr_vel equal f_fix_id\[3\]
+variable        lgr_pos equal f_fix_id\[4\]
+variable        T_qm    equal f_fix_id\[5\]
+thermo_style    custom  step temp ke pe lz pzz etotal v_dhug v_dray v_lgr_vel v_lgr_pos v_T_qm f_fix_id :pre

 The global scalar under the entry f_fix_id is the quantity of thermo
 energy as an extra part of <i>etot</i>. This global scalar and the
--- a/doc/src/fix_rx.txt
+++ b/doc/src/fix_rx.txt
@ -75,7 +75,7 @@ but no more than max_steps will be taken. If max_steps is reached, an error warn
 is printed and the simulation is stopped.

 After each ODE step, the solution error {e} is tested and weighted using the absTol
-and relTol values. The error vector is weighted as {e} / (relTol * | {u} | + absTol) 
+and relTol values. The error vector is weighted as {e} / (relTol * |{u}| + absTol)
 where {u} is the solution vector. If the norm of the error is <= 1, the solution is
 accepted, {h} is increased by a proportional amount, and the next ODE step is begun.
 Otherwise, {h} is shrunk and the ODE step is repeated.
--- a/doc/src/fix_store_state.txt
+++ b/doc/src/fix_store_state.txt
@ -17,8 +17,8 @@ store/state = style name of this fix command :l
 N = store atom attributes every N steps, N = 0 for initial store only :l
 input = one or more atom attributes :l
  possible attributes = id, mol, type, mass,
- 	                x, y, z, xs, ys, zs, xu, yu, zu, xsu, ysu, zsu, ix, iy, iz,
-		        vx, vy, vz, fx, fy, fz,
+                        x, y, z, xs, ys, zs, xu, yu, zu, xsu, ysu, zsu, ix, iy, iz,
+                        vx, vy, vz, fx, fy, fz,
                        q, mux, muy, muz, mu,
                        radius, diameter, omegax, omegay, omegaz,
                        angmomx, angmomy, angmomz, tqx, tqy, tqz,
--- a/doc/src/fix_ti_spring.txt
+++ b/doc/src/fix_ti_spring.txt
--- a/doc/src/fix_wall_gran.txt
+++ b/doc/src/fix_wall_gran.txt
@ -163,6 +163,8 @@ Any dimension (xyz) that has a granular wall must be non-periodic.

 [Related commands:]

-"fix move"_fix_move.html, "pair_style granular"_pair_gran.html
+"fix move"_fix_move.html, 
+"fix wall/gran/region"_fix_wall_gran_region.html, 
+"pair_style granular"_pair_gran.html

 [Default:] none
--- a/doc/src/fix_wall_gran_region.txt
+++ b/doc/src/fix_wall_gran_region.txt
@ -0,0 +1,199 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+fix wall/gran/region command :h3
+
+[Syntax:]
+
+fix ID group-ID wall/gran/region fstyle Kn Kt gamma_n gamma_t xmu dampflag wallstyle regionID :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+wall/region = style name of this fix command :l
+fstyle = style of force interactions between particles and wall :l
+  possible choices: hooke, hooke/history, hertz/history :pre
+Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below) :l
+Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below) :l
+gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below) :l
+gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below) :l
+xmu = static yield criterion (unitless value between 0.0 and 1.0e4) :l
+dampflag = 0 or 1 if tangential damping force is excluded or included :l
+wallstyle = region (see "fix wall/gran"_fix_wall_gran.html for options for other kinds of walls) :l
+region-ID = region whose boundary will act as wall :l,ule
+
+[Examples:]
+
+fix wall all wall/gran/region hooke/history 1000.0 200.0 200.0 100.0 0.5 1 region myCone :pre
+
+[Description:]
+
+Treat the surface of the geometric region defined by the {region-ID}
+as a bounding frictional wall which interacts with nearby finite-size
+granular particles when they are close enough to touch the wall.  See
+the "fix wall/region"_fix_wall_region.html and "fix
+wall/gran"_fix_wall_gran.html commands for related kinds of walls for
+non-granular particles and simpler wall geometries, respectively.
+
+Here are snapshots of example models using this command.
+Corresponding input scripts can be found in examples/granregion.
+Click on the images to see a bigger picture.  Movies of these
+simulations are "here on the Movies
+page"_http://lammps.sandia.gov/movies.html#granregion.html of the
+LAMMPS web site.
+
+:image(JPG/gran_funnel_small.jpg,JPG/gran_funnel.png)
+:image(JPG/gran_mixer_small.jpg,JPG/gran_mixer.png)
+
+:line
+
+The distance between a particle and the region boundary is the
+distance to the nearest point on the region surface.  The force the
+wall exerts on the particle is along the direction between that point
+and the particle center, which is the direction normal to the surface
+at that point.  Note that if the region surface is comprised of
+multiple "faces", then each face can exert a force on the particle if
+it is close enough.  E.g. for "region_style block"_region.html, a
+particle in the interior, near a corner of the block, could feel wall
+forces from 1, 2, or 3 faces of the block.
+
+Regions are defined using the "region"_region.html command.  Note that
+the region volume can be interior or exterior to the bounding surface,
+which will determine in which direction the surface interacts with
+particles, i.e. the direction of the surface normal. The exception to
+this is if one or more {open} options are specified for the region
+command, in which case particles interact with both the interior and
+exterior surfaces of regions.
+
+Regions can either be primitive shapes (block, sphere, cylinder, etc)
+or combinations of primitive shapes specified via the {union} or
+{intersect} region styles.  These latter styles can be used to
+construct particle containers with complex shapes.  Regions can also
+move dynamically via the "region"_region.html command keywords (move)
+and {rotate}, or change their shape by use of variables as inputs to
+the "region"_region.html command.  If such a region is used with this
+fix, then the region surface will move in time in the corresponding
+manner.
+
+NOTE: As discussed on the "region"_region.html command doc page,
+regions in LAMMPS do not get wrapped across periodic boundaries.  It
+is up to you to ensure that the region location with respect to
+periodic or non-periodic boundaries is specified appropriately via the
+"region"_region.html and "boundary"_boundary.html commands when using
+a region as a wall that bounds particle motion.
+ 
+NOTE: For primitive regions with sharp corners and/or edges (e.g. a
+block or cylinder), wall/particle forces are computed accurately for
+both interior and exterior regions.  For {union} and {intersect}
+regions, additional sharp corners and edges may be present due to the
+intersection of the surfaces of 2 or more primitive volumes.  These
+corners and edges can be of two types: concave or convex.  Concave
+points/edges are like the corners of a cube as seen by particles in
+the interior of a cube.  Wall/particle forces around these features
+are computed correctly.  Convex points/edges are like the corners of a
+cube as seen by particles exterior to the cube, i.e. the points jut
+into the volume where particles are present.  LAMMPS does NOT compute
+the location of these convex points directly, and hence wall/particle
+forces in the cutoff volume around these points suffer from
+inaccuracies.  The basic problem is that the outward normal of the
+surface is not continuous at these points.  This can cause particles
+to feel no force (they don't "see" the wall) when in one location,
+then move a distance epsilon, and suddenly feel a large force because
+they now "see" the wall.  In a worst-case scenario, this can blow
+particles out of the simulation box.  Thus, as a general rule you
+should not use the fix wall/gran/region command with {union} or
+{interesect} regions that have convex points or edges resulting from
+the union/intersection (convex points/edges in the union/intersection
+due to a single sub-region are still OK).
+
+NOTE: Similarly, you should not define {union} or {intersert} regions
+for use with this command that share an overlapping common face that
+is part of the overall outer boundary (interior boundary is OK), even
+if the face is smooth.  E.g. two regions of style block in a {union}
+region, where the two blocks overlap on one or more of their faces.
+This is because LAMMPS discards points that are part of multiple
+sub-regions when calculating wall/particle interactions, to avoid
+double-counting the interaction.  Having two coincident faces could
+cause the face to become invisible to the particles.  The solution is
+to make the two faces differ by epsilon in their position.
+
+The nature of the wall/particle interactions are determined by the
+{fstyle} setting.  It can be any of the styles defined by the
+"pair_style granular"_pair_gran.html commands.  Currently this is
+{hooke}, {hooke/history}, or {hertz/history}.  The equation for the
+force between the wall and particles touching it is the same as the
+corresponding equation on the "pair_style granular"_pair_gran.html doc
+page, but the effective radius is calculated using the radius of the
+particle and the radius of curvature of the wall at the contact point.
+
+Specifically, delta = radius - r = overlap of particle with wall,
+m_eff = mass of particle, and RiRj/Ri+Rj is the effective radius, with
+Rj replaced by the radius of curvature of the wall at the contact
+point.  The radius of curvature can be negative for a concave wall
+section, e.g. the interior of cylinder.  For a flat wall, delta =
+radius - r = overlap of particle with wall, m_eff = mass of particle,
+and the effective radius of contact is just the radius of the
+particle.
+
+The parameters {Kn}, {Kt}, {gamma_n}, {gamma_t}, {xmu} and {dampflag}
+have the same meaning and units as those specified with the
+"pair_style granular"_pair_gran.html commands.  This means a NULL can
+be used for either {Kt} or {gamma_t} as described on that page.  If a
+NULL is used for {Kt}, then a default value is used where {Kt} = 2/7
+{Kn}.  If a NULL is used for {gamma_t}, then a default value is used
+where {gamma_t} = 1/2 {gamma_n}.
+
+Note that you can choose a different force styles and/or different
+values for the 6 wall/particle coefficients than for particle/particle
+interactions.  E.g. if you wish to model the wall as a different
+material.
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+Similiar to "fix wall/gran"_fix_wall_gran.html command, this fix
+writes the shear friction state of atoms interacting with the wall to
+"binary restart files"_restart.html, so that a simulation can continue
+correctly if granular potentials with shear "history" effects are
+being used.  This fix also includes info about a moving region in the
+restart file.  See the "read_restart"_read_restart.html command for
+info on how to re-specify a fix in an input script that reads a
+restart file, so that the operation of the fix continues in an
+uninterrupted fashion.
+
+Note that info about region definitions is NOT included in restart
+files.  So you must re-define your region and if it is a moving
+region, define its motion attributes in a way that is consistent with
+the simulation that wrote the restart file.  In particular, if you
+want to change its motion attributes (e.g. its velocity), then you
+should insure the postition/orientation of the region at the initial
+restart timestep is the same as it was on the timestep the restart
+file was written.  If this is not possible, then you may need to
+ignore info in the restart file by defining a new fix wall/gran/region
+command in your restart script (e.g. with a different fix ID).
+
+None of the "fix_modify"_fix_modify.html options are relevant to this
+fix.  No global or per-atom quantities are stored by this fix for
+access by various "output commands"_Section_howto.html#howto_15.  No
+parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.  This fix is not invoked during "energy
+minimization"_minimize.html.
+
+[Restrictions:]
+
+This fix is part of the GRANULAR package.  It is only enabled if
+LAMMPS was built with that package.  See the "Making
+LAMMPS"_Section_start.html#start_3 section for more info.
+
+[Related commands:]
+
+"fix_move"_fix_move.html,
+"fix wall/gran"_fix_wall_gran.html, 
+"fix wall/region"_fix_wall_region.html,
+"pair_style granular"_pair_gran.html,
+"region"_region.html
+
+[Default:] none
+
--- a/doc/src/group.txt
+++ b/doc/src/group.txt
@ -253,7 +253,7 @@ group           mobile dynamic all region ss
 fix             1 mobile nve
 run             $\{nsteps\}
 group           mobile static
-run	        $\{nsteps\} :pre
+run             $\{nsteps\} :pre

 NOTE: All fixes and computes take a group ID as an argument, but they
 do not all allow for use of a dynamic group.  If you get an error
--- a/doc/src/if.txt
+++ b/doc/src/if.txt
@ -109,19 +109,19 @@ Here is an example of a double loop which uses the if and
 "jump"_jump.html commands to break out of the inner loop when a
 condition is met, then continues iterating thru the outer loop.

-label	    loopa
+label       loopa
 variable    a loop 5
-  label	    loopb
+  label     loopb
  variable  b loop 5
-  print	    "A,B = $a,$b"
+  print     "A,B = $a,$b"
  run       10000
-  if	    "$b > 2" then "jump SELF break"
-  next	    b
-  jump	    in.script loopb
-label	    break
+  if        "$b > 2" then "jump SELF break"
+  next      b
+  jump      in.script loopb
+label       break
 variable    b delete
-next	    a
-jump	    SELF loopa :pre
+next        a
+jump        SELF loopa :pre

 :line

@ -139,7 +139,7 @@ InP, myString, a123, ab_23_cd, etc :pre

 and Boolean operators:

-A == B, A != B, A < B, A <= B, A > B, A >= B, A && B, A || B, !A :pre
+A == B, A != B, A < B, A <= B, A > B, A >= B, A && B, A || B, A |^ B, !A :pre

 Each A and B is a number or string or a variable reference like $a or
 $\{abc\}, or A or B can be another Boolean expression.
@ -155,9 +155,10 @@ precedence: the unary logical NOT operator "!" has the highest
 precedence, the 4 relational operators "<", "<=", ">", and ">=" are
 next; the two remaining relational operators "==" and "!=" are next;
 then the logical AND operator "&&"; and finally the logical OR
-operator "||" has the lowest precedence.  Parenthesis can be used to
-group one or more portions of an expression and/or enforce a different
-order of evaluation than what would occur with the default precedence.
+operator "||" and logical XOR (exclusive or) operator "|^" have the
+lowest precedence.  Parenthesis can be used to group one or more
+portions of an expression and/or enforce a different order of
+evaluation than what would occur with the default precedence.

 When the 6 relational operators (first 6 in list above) compare 2
 numbers, they return either a 1.0 or 0.0 depending on whether the
@ -171,9 +172,11 @@ relationship between A and B is TRUE or FALSE (or just A).  The
 logical AND operator will return 1.0 if both its arguments are
 non-zero, else it returns 0.0.  The logical OR operator will return
 1.0 if either of its arguments is non-zero, else it returns 0.0.  The
-logical NOT operator returns 1.0 if its argument is 0.0, else it
-returns 0.0.  The 3 logical operators can only be used to operate on
-numbers, not on strings.
+logical XOR operator will return 1.0 if one of its arguments is zero
+and the other non-zero, else it returns 0.0.  The logical NOT operator
+returns 1.0 if its argument is 0.0, else it returns 0.0.  The 3
+logical operators can only be used to operate on numbers, not on
+strings.

 The overall Boolean expression produces a TRUE result if the result is
 non-zero.  If the result is zero, the expression result is FALSE.
--- a/doc/src/jump.txt
+++ b/doc/src/jump.txt
@ -103,19 +103,19 @@ Here is an example of a double loop which uses the if and
 "jump"_jump.html commands to break out of the inner loop when a
 condition is met, then continues iterating thru the outer loop.

-label	    loopa
+label       loopa
 variable    a loop 5
-  label	    loopb
+  label     loopb
  variable  b loop 5
-  print	    "A,B = $a,$b"
+  print     "A,B = $a,$b"
  run       10000
-  if	    "$b > 2" then "jump SELF break"
-  next	    b
-  jump	    in.script loopb
-label	    break
+  if        "$b > 2" then "jump SELF break"
+  next      b
+  jump      in.script loopb
+label       break
 variable    b delete
-next	    a
-jump	    SELF loopa :pre
+next        a
+jump        SELF loopa :pre

 [Restrictions:]

--- a/doc/src/min_style.txt
+++ b/doc/src/min_style.txt
--- a/doc/src/next.txt
+++ b/doc/src/next.txt
@ -116,19 +116,19 @@ Here is an example of a double loop which uses the "if"_if.html and
 "jump"_jump.html commands to break out of the inner loop when a
 condition is met, then continues iterating thru the outer loop.

-label	    loopa
+label       loopa
 variable    a loop 5
-  label	    loopb
+  label     loopb
  variable  b loop 5
-  print	    "A,B = $a,$b"
+  print     "A,B = $a,$b"
  run       10000
-  if	    $b > 2 then "jump in.script break"
-  next	    b
-  jump	    in.script loopb
-label	    break
+  if        $b > 2 then "jump in.script break"
+  next      b
+  jump      in.script loopb
+label       break
 variable    b delete :pre
-next	    a
-jump	    in.script loopa :pre
+next        a
+jump        in.script loopa :pre

 [Restrictions:]

--- a/doc/src/pair_dipole.txt
+++ b/doc/src/pair_dipole.txt
--- a/doc/src/pair_gayberne.txt
+++ b/doc/src/pair_gayberne.txt
--- a/doc/src/pair_hybrid.txt
+++ b/doc/src/pair_hybrid.txt
@ -170,7 +170,7 @@ so that there is effectively no interaction (e.g. epsilon = 0.0 in a
 LJ potential).  Or, for {hybrid} and {hybrid/overlay} simulations, you
 can use this form of the pair_coeff command in your input script:

-pair_coeff	2 3 none :pre
+pair_coeff        2 3 none :pre

 or this form in the "Pair Coeffs" section of the data file:

--- a/doc/src/pair_meam.txt
+++ b/doc/src/pair_meam.txt
@ -188,9 +188,9 @@ lattce(I,J) = lattice structure of I-J reference structure:
                bcc = body centered cubic
                dim = dimer
                b1  = rock salt (NaCl structure)
-		hcp = hexagonal close-packed
-		c11 = MoSi2 structure
-		l12 = Cu3Au structure (lower case L, followed by 12)
+                hcp = hexagonal close-packed
+                c11 = MoSi2 structure
+                l12 = Cu3Au structure (lower case L, followed by 12)
                b2  = CsCl structure (interpenetrating simple cubic)
 nn2(I,J)    = turn on second-nearest neighbor MEAM formulation for
              I-J pair (see for example "(Lee)"_#Lee).
--- a/doc/src/pair_reax_c.txt
+++ b/doc/src/pair_reax_c.txt
@ -41,7 +41,9 @@ supplemental information of the following paper: "(Chenoweth et al.,
 2008)"_#Chenoweth_2008.  The version integrated into LAMMPS matches
 the most up-to-date version of ReaxFF as of summer 2010.  For more
 technical details about the pair reax/c implementation of ReaxFF, see
-the "(Aktulga)"_#Aktulga paper.
+the "(Aktulga)"_#Aktulga paper. The {reax/c} style was initially
+implemented as a stand-alone C code and is now integrated into LAMMPS
+as a package.

 The {reax/c/kk} style is a Kokkos version of the ReaxFF potential that is
 derived from the {reax/c} style. The Kokkos version can run on GPUs and
@ -163,11 +165,11 @@ To print these quantities to the log file (with descriptive column
 headings) the following commands could be included in an input script:

 compute reax all pair reax/c
-variable eb  	 equal c_reax\[1\]
-variable ea  	 equal c_reax\[2\] 
+variable eb      equal c_reax\[1\]
+variable ea      equal c_reax\[2\]
 \[...\]
-variable eqeq 	 equal c_reax\[14\]
-thermo_style custom step temp epair v_eb v_ea ... v_eqeq :pre
+variable eqeq    equal c_reax\[14\]
+thermo_style custom step temp epair v_eb v_ea \[...\] v_eqeq :pre

 Only a single pair_coeff command is used with the {reax/c} style which
 specifies a ReaxFF potential file with parameters for all needed
@ -237,7 +239,7 @@ nbrhood_cutoff: Denotes the near neighbors cutoff (in Angstroms)
 regarding the bonded interactions. (default value = 5.0)

 hbond_cutoff: Denotes the cutoff distance (in Angstroms) for hydrogen
-bond interactions.(default value = 7.5. Value of 0.0 turns off
+bond interactions.(default value = 7.5. A value of 0.0 turns off
 hydrogen bonds)

 bond_graph_cutoff: is the threshold used in determining what is a
--- a/doc/src/pair_resquared.txt
+++ b/doc/src/pair_resquared.txt
--- a/doc/src/pair_smtbq.txt
+++ b/doc/src/pair_smtbq.txt
@ -158,7 +158,7 @@ Divided line :ul
 3) Potential parameters:

 Keyword for element1, element2 and interaction potential ('second_moment' or 'buck' or 'buckPlusAttr') between element 1 and 2.  If the potential is 'second_moment', specify 'oxide' or 'metal' for metal-oxygen or metal-metal interactions respectively.
-Potential parameter: <pre><br/>	If type of potential is 'second_moment' : {A (eV)}, {p}, {&#958<sup>0</sup>} (eV) and {q} <br/>						  {r<sub>c1</sub>} (&#197), {r<sub>c2</sub>} (&#197) and {r<sub>0</sub>} (&#197) <br/> 	If type of potential is 'buck' : {C} (eV) and {&#961} (&#197) <br/>	If type of potential is 'buckPlusAttr' : {C} (eV) and {&#961} (&#197) <br/>						 {D} (eV), {B} (&#197<sup>-1</sup>), {r<sub>1</sub><sup>OO</sup>} (&#197) and {r<sub>2</sub><sup>OO</sup>} (&#197) </pre>
+Potential parameter: <pre><br/> If type of potential is 'second_moment' : {A (eV)}, {p}, {&#958<sup>0</sup>} (eV) and {q} <br/> {r<sub>c1</sub>} (&#197), {r<sub>c2</sub>} (&#197) and {r<sub>0</sub>} (&#197) <br/> If type of potential is 'buck' : {C} (eV) and {&#961} (&#197) <br/> If type of potential is 'buckPlusAttr' : {C} (eV) and {&#961} (&#197) <br/> {D} (eV), {B} (&#197<sup>-1</sup>), {r<sub>1</sub><sup>OO</sup>} (&#197) and {r<sub>2</sub><sup>OO</sup>} (&#197) </pre>
 Divided line :ul

 4) Tables parameters:
@ -185,7 +185,7 @@ Divided line :ul

 8) Mode for the electronegativity equalization (Qeq) :

-Keyword mode: <pre> <br/>		QEqAll  (one QEq group)			|   no parameters <br/>		QEqAllParallel (several QEq groups)	|   no parameters <br/>		Surface			|   zlim   (QEq only for z>zlim)   </pre>
+Keyword mode: <pre> <br/> QEqAll  (one QEq group) |   no parameters <br/> QEqAllParallel (several QEq groups) |   no parameters <br/> Surface |   zlim   (QEq only for z>zlim)   </pre>
 Parameter if necessary
 Divided line :ul

--- a/doc/src/pair_snap.txt
+++ b/doc/src/pair_snap.txt
@ -96,15 +96,15 @@ tantalum potential provided in the LAMMPS potentials directory
 combines the {snap} and {zbl} pair styles. It is invoked
 by the following commands:

-	variable zblcutinner equal 4
-	variable zblcutouter equal 4.8
-	variable zblz equal 73
-	pair_style hybrid/overlay &
-	zbl $\{zblcutinner\} $\{zblcutouter\} snap
-	pair_coeff * * zbl 0.0 
-	pair_coeff 1 1 zbl $\{zblz\}
-	pair_coeff * * snap ../potentials/Ta06A.snapcoeff Ta &
-	../potentials/Ta06A.snapparam Ta :pre
+        variable zblcutinner equal 4
+        variable zblcutouter equal 4.8
+        variable zblz equal 73
+        pair_style hybrid/overlay &
+        zbl $\{zblcutinner\} $\{zblcutouter\} snap
+        pair_coeff * * zbl 0.0
+        pair_coeff 1 1 zbl $\{zblz\}
+        pair_coeff * * snap ../potentials/Ta06A.snapcoeff Ta &
+        ../potentials/Ta06A.snapparam Ta :pre

 It is convenient to keep these commands in a separate file that can
 be inserted in any LAMMPS input script using the "include"_include.html
--- a/doc/src/replicate.txt
+++ b/doc/src/replicate.txt
@ -74,11 +74,14 @@ larger version of your molecule as a pre-processing step and input a
 new data file to LAMMPS.

 If the current simulation was read in from a restart file (before a
-run is performed), there can have been no fix information stored in
+run is performed), there must not be any fix information stored in
 the file for individual atoms.  Similarly, no fixes can be defined at
 the time the replicate command is used that require vectors of atom
 information to be stored.  This is because the replicate command does
 not know how to replicate that information for new atoms it creates.
+To work around this restriction, restart files may be converted into
+data files and fixes may be undefined via the "unfix"_unfix.html
+command before and redefined after the replicate command.

 [Related commands:] none

--- a/doc/src/restart.txt
+++ b/doc/src/restart.txt
@ -113,8 +113,8 @@ For example, the following commands will write restart files
 every step from 1100 to 1200, and could be useful for debugging
 a simulation where something goes wrong at step 1163:

-variable	s equal stride(1100,1200,1)
-restart		v_s tmp.restart :pre
+variable       s equal stride(1100,1200,1)
+restart        v_s tmp.restart :pre

 :line

--- a/doc/src/run.txt
+++ b/doc/src/run.txt
@ -66,11 +66,11 @@ keywords.

 For example, consider this fix followed by 10 run commands:

-fix	     1 all nvt 200.0 300.0 1.0
-run	     1000 start 0 stop 10000
-run	     1000 start 0 stop 10000
+fix         1 all nvt 200.0 300.0 1.0
+run         1000 start 0 stop 10000
+run         1000 start 0 stop 10000
 ...
-run	     1000 start 0 stop 10000 :pre
+run         1000 start 0 stop 10000 :pre

 The NVT fix ramps the target temperature from 200.0 to 300.0 during a
 run.  If the run commands did not have the start/stop keywords (just
--- a/doc/src/run_style.txt
+++ b/doc/src/run_style.txt
@ -20,7 +20,7 @@ style = {verlet} or {verlet/split} or {respa} or {respa/omp} :ulb,l
    n1, n2, ... = loop factor between rRESPA levels (N-1 values)
    zero or more keyword/value pairings may be appended to the loop factors
    keyword = {bond} or {angle} or {dihedral} or {improper} or
-	      {pair} or {inner} or {middle} or {outer} or {hybrid} or {kspace}
+              {pair} or {inner} or {middle} or {outer} or {hybrid} or {kspace}
      {bond} value = M
        M = which level (1-N) to compute bond forces in
      {angle} value = M
@ -33,14 +33,14 @@ style = {verlet} or {verlet/split} or {respa} or {respa/omp} :ulb,l
        M = which level (1-N) to compute pair forces in
      {inner} values = M cut1 cut2
        M = which level (1-N) to compute pair inner forces in
-	cut1 = inner cutoff between pair inner and
-	       pair middle or outer  (distance units)
-	cut2 = outer cutoff between pair inner and
-	       pair middle or outer  (distance units)
+        cut1 = inner cutoff between pair inner and
+               pair middle or outer  (distance units)
+        cut2 = outer cutoff between pair inner and
+               pair middle or outer  (distance units)
      {middle} values = M cut1 cut2
        M = which level (1-N) to compute pair middle forces in
-	cut1 = inner cutoff between pair middle and pair outer (distance units)
-	cut2 = outer cutoff between pair middle and pair outer (distance units)
+        cut1 = inner cutoff between pair middle and pair outer (distance units)
+        cut2 = outer cutoff between pair middle and pair outer (distance units)
      {outer} value = M
        M = which level (1-N) to compute pair outer forces in
      {hybrid} values = M1 M2 ... (as many values as there are hybrid sub-styles
@ -230,7 +230,7 @@ rRESPA:

 fix             2 all shake 0.000001 500 0 m 1.0 a 1
 timestep        4.0
-run_style	respa 2 2 inner 1 4.0 5.0 outer 2 :pre
+run_style       respa 2 2 inner 1 4.0 5.0 outer 2 :pre

 With these settings, users can expect good energy conservation and
 roughly a 1.5 fold speedup over the {verlet} style with SHAKE and a
--- a/doc/src/set.txt
+++ b/doc/src/set.txt
@ -17,13 +17,13 @@ ID = atom ID range or type range or mol ID range or group ID or region ID :l
 one or more keyword/value pairs may be appended :l
 keyword = {type} or {type/fraction} or {mol} or {x} or {y} or {z} or \
          {charge} or {dipole} or {dipole/random} or {quat} or \
-	  {quat/random} or {diameter} or {shape} or \
-	  {length} or {tri} or {theta} or {theta/random} or \
+          {quat/random} or {diameter} or {shape} or \
+          {length} or {tri} or {theta} or {theta/random} or \
          {angmom} or {omega} or \
-	  {mass} or {density} or {volume} or {image} or \
-	  {bond} or {angle} or {dihedral} or {improper} or \
-	  {meso/e} or {meso/cv} or {meso/rho} or \
-	  {smd/contact/radius} or {smd/mass/density} or {dpd/theta} or \
+          {mass} or {density} or {volume} or {image} or \
+          {bond} or {angle} or {dihedral} or {improper} or \
+          {meso/e} or {meso/cv} or {meso/rho} or \
+          {smd/contact/radius} or {smd/mass/density} or {dpd/theta} or \
          {i_name} or {d_name} :l
  {type} value = atom type
    value can be an atom-style variable (see below)
--- a/doc/src/thermo.txt
+++ b/doc/src/thermo.txt
@ -45,8 +45,8 @@ options for "equal-style variables"_variable.html.
 For example, the following commands will output thermodynamic info at
 timesteps 0,10,20,30,100,200,300,1000,2000,etc:

-variable	s equal logfreq(10,3,10)
-thermo	        v_s :pre
+variable        s equal logfreq(10,3,10)
+thermo          v_s :pre

 [Restrictions:] none

--- a/doc/src/thermo_style.txt
+++ b/doc/src/thermo_style.txt
@ -23,12 +23,12 @@ args = list of arguments for a particular style :l
                        evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
                        emol, elong, etail,
                        vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
-		        xy, xz, yz, xlat, ylat, zlat,
+                        xy, xz, yz, xlat, ylat, zlat,
                        bonds, angles, dihedrals, impropers,
-		        pxx, pyy, pzz, pxy, pxz, pyz,
-			fmax, fnorm, nbuild, ndanger,
-			cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
-			c_ID, c_ID\[I\], c_ID\[I\]\[J\],
+                        pxx, pyy, pzz, pxy, pxz, pyz,
+                        fmax, fnorm, nbuild, ndanger,
+                        cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
+                        c_ID, c_ID\[I\], c_ID\[I\]\[J\],
                        f_ID, f_ID\[I\], f_ID\[I\]\[J\],
                        v_name, v_name\[I\]
      step = timestep
--- a/doc/src/variable.txt
+++ b/doc/src/variable.txt
@ -47,23 +47,23 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
    constants = PI, version, on, off, true, false, yes, no
    thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
    math operators = (), -x, x+y, x-y, x*y, x/y, x^y, x%y,
-                     x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, !x
+                     x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, x |^ y, !x
    math functions = sqrt(x), exp(x), ln(x), log(x), abs(x),
                     sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
                     random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x)
                     ramp(x,y), stagger(x,y), logfreq(x,y,z), logfreq2(x,y,z),
-		     stride(x,y,z), stride2(x,y,z,a,b,c), 
-		     vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
+                     stride(x,y,z), stride2(x,y,z,a,b,c),
+                     vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
    group functions = count(group), mass(group), charge(group),
-		      xcm(group,dim), vcm(group,dim), fcm(group,dim),
-		      bound(group,dir), gyration(group), ke(group),
-		      angmom(group,dim), torque(group,dim),
+                      xcm(group,dim), vcm(group,dim), fcm(group,dim),
+                      bound(group,dir), gyration(group), ke(group),
+                      angmom(group,dim), torque(group,dim),
                      inertia(group,dimdim), omega(group,dim)
    region functions = count(group,region), mass(group,region), charge(group,region),
-		      xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
-		      bound(group,dir,region), gyration(group,region), ke(group,reigon),
-		      angmom(group,dim,region), torque(group,dim,region), 
-		      inertia(group,dimdim,region), omega(group,dim,region)
+                      xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
+                      bound(group,dir,region), gyration(group,region), ke(group,reigon),
+                      angmom(group,dim,region), torque(group,dim,region),
+                      inertia(group,dimdim,region), omega(group,dim,region)
    special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x)
    feature functions = is_active(category,feature,exact), is_defined(category,id,exact)
    atom value = id\[i\], mass\[i\], type\[i\], mol\[i\], x\[i\], y\[i\], z\[i\], vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\], q\[i\]
@ -219,13 +219,13 @@ script or when the input script is looped over.  This can be useful
 when breaking out of a loop via the "if"_if.html and "jump"_jump.html
 commands before the variable would become exhausted.  For example,

-label	    loop
+label       loop
 variable    a loop 5
-print	    "A = $a"
-if	    "$a > 2" then "jump in.script break"
-next	    a
-jump	    in.script loop
-label	    break
+print       "A = $a"
+if          "$a > 2" then "jump in.script break"
+next        a
+jump        in.script loop
+label       break
 variable    a delete :pre

 :line
@ -450,7 +450,7 @@ Number: 0.2, 100, 1.0e20, -15.4, etc
 Constant: PI, version, on, off, true, false, yes, no
 Thermo keywords: vol, pe, ebond, etc
 Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x%y, \
-     x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, !x
+     x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, x |^ y, !x
 Math functions: sqrt(x), exp(x), ln(x), log(x), abs(x), \
     sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), \
     random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), \
@ -551,9 +551,10 @@ division and the modulo operator "%" are next; addition and
 subtraction are next; the 4 relational operators "<", "<=", ">", and
 ">=" are next; the two remaining relational operators "==" and "!="
 are next; then the logical AND operator "&&"; and finally the logical
-OR operator "||" has the lowest precedence.  Parenthesis can be used
-to group one or more portions of a formula and/or enforce a different
-order of evaluation than what would occur with the default precedence.
+OR operator "||" and logical XOR (exclusive or) operator "|^" have the
+lowest precedence.  Parenthesis can be used to group one or more
+portions of a formula and/or enforce a different order of evaluation
+than what would occur with the default precedence.

 NOTE: Because a unary minus is higher precedence than exponentiation,
 the formula "-2^2" will evaluate to 4, not -4.  This convention is
@ -568,8 +569,10 @@ return 1.0 for all atoms whose x-coordinate is less than 10.0, and 0.0
 for the others.  The logical AND operator will return 1.0 if both its
 arguments are non-zero, else it returns 0.0.  The logical OR operator
 will return 1.0 if either of its arguments is non-zero, else it
-returns 0.0.  The logical NOT operator returns 1.0 if its argument is
-0.0, else it returns 0.0.
+returns 0.0.  The logical XOR operator will return 1.0 if one of its
+arguments is zero and the other non-zero, else it returns 0.0.  The
+logical NOT operator returns 1.0 if its argument is 0.0, else it
+returns 0.0.

 These relational and logical operators can be used as a masking or
 selection operation in a formula.  For example, the number of atoms
--- a/examples/README
+++ b/examples/README
@ -74,6 +74,7 @@ eim:      NaCl using the EIM potential
 ellipse:  ellipsoidal particles in spherical solvent, 2d system
 flow:	  Couette and Poiseuille flow in a 2d channel
 friction: frictional contact of spherical asperities between 2d surfaces
+granregion: use of fix wall/region/gran as boundary on granular particles
 hugoniostat: Hugoniostat shock dynamics
 indent:	  spherical indenter into a 2d solid
 kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)
--- a/examples/USER/quip/in.gap
+++ b/examples/USER/quip/in.gap
@ -18,6 +18,5 @@ thermo		10
 timestep	0.001

 dump		1 all custom 10 dump.gap id fx fy fz
-dump_modify     1 format "%d %20.15g  %20.15g %20.15g"

 run		40
--- a/examples/USER/quip/in.sw
+++ b/examples/USER/quip/in.sw
@ -18,6 +18,5 @@ thermo		10
 timestep	0.001

 dump		1 all custom 10 dump.sw id fx fy fz
-dump_modify     1 format "%d %20.15g  %20.15g %20.15g"

 run		1
--- a/examples/balance/in.balance.bond.fast
+++ b/examples/balance/in.balance.bond.fast
@ -43,7 +43,7 @@ fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
 fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5

 comm_style      tiled
-comm_modify     cutoff 7.5
+comm_modify     cutoff 10.0   # because bonds stretch a long ways
 fix             10 all balance 50 0.9 rcb

 #compute         1 all property/atom proc
--- a/examples/balance/in.balance.clock.dynamic
+++ b/examples/balance/in.balance.clock.dynamic
@ -52,4 +52,3 @@ fix		0 all balance 50 1.0 shift x 5 1.0 &
                weight neigh 0.5 weight time 0.66 weight store WEIGHT
 run             500
 run             500
-
--- a/examples/balance/log.27Sep16.balance.bond.fast.g++.4
+++ b/examples/balance/log.27Sep16.balance.bond.fast.g++.4
@ -1,225 +0,0 @@
-LAMMPS (26 Sep 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	bond
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box bond/types 1 extra/bond/per/atom 6
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  2 by 2 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-bond_style      harmonic
-bond_coeff      1 10.0 1.2
-
-# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
-
-special_bonds   lj/coul 0 1 1
-  0 = max # of 1-2 neighbors
-  1 = max # of special neighbors
-create_bonds    all all 1 1.0 1.5
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Added 1014 bonds, new total = 1014
-  6 = max # of 1-2 neighbors
-  6 = max # of special neighbors
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-comm_modify     cutoff 7.5
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom (c_1%10)+1
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 7.5
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 4.49421 Mbytes
-Step Temp E_pair Press f_10[3] f_10 
-       0    25.701528   -2.2032569    3.1039469    3.2354571    1.0526316 
-     100    27.623422    -6.228166    2.6542136    1.2631579    1.0083102 
-     200     33.35302   -15.746749    3.2018248    1.2963989    1.0193906 
-     300     39.17734     -24.1557    4.9116986    1.2963989    1.0193906 
-     400    41.660701   -27.615203    8.6214679    1.3518006    1.0083102 
-     500    37.154928   -24.096947    3.2656178    1.3296399    1.0193906 
-     600    35.059889   -21.524278    2.3728491    1.3296399    1.0083102 
-     700     36.70511   -21.983922     3.299538    1.3296399    1.0083102 
-     800     39.54394   -25.667546    4.3058382    1.3961219    1.0083102 
-     900    37.868974   -24.379807    5.3176538    1.3518006    1.0083102 
-    1000    36.721328   -23.341363    5.8700266    1.3407202    1.0083102 
-    1100    35.646239     -23.3255    3.3762843    1.1855956    1.0083102 
-    1200    31.452912   -20.792985    5.4901357    1.1966759    1.0083102 
-    1300    32.276549   -21.245929    6.4153084    1.2077562    1.0193906 
-    1400    29.452751   -20.724401     2.174752    1.1855956    1.0083102 
-    1500    28.014757   -18.893532    1.7482766    1.1634349    1.0083102 
-    1600    26.222645    -16.78953   0.93944237    1.1966759    1.0304709 
-    1700    25.711888   -15.792639   0.20021405    1.0969529    1.0083102 
-    1800    24.412639   -13.217606    0.7091708    1.1966759    1.0083102 
-    1900    25.644324   -13.020594    1.3661224    1.1412742    1.0083102 
-    2000    24.556667   -13.580087   0.80121134    1.0637119    1.0083102 
-    2100     25.23657   -13.560862    1.2349706    1.1191136    1.0193906 
-    2200    26.456985   -13.804729      1.27046    1.1412742    1.0193906 
-    2300    26.416685   -13.212452    1.4096744    1.1412742    1.0083102 
-    2400    25.472914   -12.472527    1.5408641    1.1412742    1.0083102 
-    2500    25.216305   -12.597474   0.84328282    1.1412742    1.0083102 
-    2600    24.107024   -12.455199    1.5587978    1.2409972    1.0193906 
-    2700    26.840175   -15.533209    1.2944973    1.1745152    1.0083102 
-    2800    26.149759    -14.83948    4.0371126    1.0747922    1.0083102 
-    2900    24.651151   -14.934342    2.7634302    1.0747922    1.0193906 
-    3000    21.873123   -13.366381  -0.18605935    1.1301939    1.0083102 
-    3100    19.974658   -10.620844  -0.16366371    1.0637119    1.0193906 
-    3200    20.926558   -10.336663  -0.73116364    1.1080332    1.0083102 
-    3300    20.473772   -10.588752  -0.66017168    1.0858726    1.0304709 
-    3400    22.476649    -11.87982    1.0141731    1.0747922    1.0083102 
-    3500     24.02361   -12.532787    1.4116935    1.1191136    1.0083102 
-    3600    22.922792   -12.328391  -0.27783338    1.0969529    1.0083102 
-    3700    21.772971   -10.716922   0.95739835    1.1523546    1.0083102 
-    3800    21.597174   -10.839031   0.67958603    1.1191136    1.0193906 
-    3900    21.883448   -11.258422  -0.40592732    1.0637119    1.0193906 
-    4000    22.815486   -10.891868    1.6123322    1.1301939    1.0193906 
-    4100    23.276599   -11.400134   0.65653972    1.0415512    1.0193906 
-    4200    22.543441   -11.530245  0.074132899    1.1523546    1.0193906 
-    4300    22.863379   -10.809451   0.27552824    1.1412742    1.0193906 
-    4400    22.475073   -11.125735    1.7708547    1.1191136    1.0193906 
-    4500    23.500125   -11.680919   0.91347563    1.0858726    1.0083102 
-    4600      21.1812   -11.767353  0.095659263    1.1191136    1.0193906 
-    4700    22.950759   -12.108158  0.083009642    1.1966759    1.0083102 
-    4800     22.12306   -11.455893   0.47932308    1.1080332    1.0083102 
-    4900    23.297573   -11.823246   0.93733479    1.0969529    1.0083102 
-    5000     22.98743   -12.014836   0.36186604    1.1080332    1.0083102 
-    5100    23.081456    -11.54226   0.73473004    1.0747922    1.0193906 
-    5200    20.980311   -11.493036  -0.71555187    1.0637119    1.0193906 
-    5300    21.468406    -11.18497   0.54579843    1.0304709    1.0193906 
-    5400     22.75839   -10.856825   0.94407228    1.1191136    1.0083102 
-    5500    22.705652   -12.112469    0.4753399    1.1412742    1.0083102 
-    5600    22.391177   -12.530712    1.0180383    1.1412742    1.0083102 
-    5700    21.832834   -11.368512   0.88281166    1.0415512    1.0083102 
-    5800    22.850002   -11.948876  -0.46874747    1.0747922    1.0083102 
-    5900    21.135991   -12.358431  -0.48932559    1.0526316    1.0193906 
-    6000    22.071115   -11.433484   0.49653696    1.0747922    1.0304709 
-    6100     21.91427   -11.458553 -0.030708226    1.0637119    1.0193906 
-    6200    24.173206   -13.110269  -0.13661363    1.1412742    1.0083102 
-    6300    22.204413   -11.373556    1.6254012    1.0747922    1.0304709 
-    6400    23.259022   -11.634614    1.4472592    1.1412742    1.0193906 
-    6500    22.185287   -11.606998   0.66488201    1.0415512    1.0083102 
-    6600    21.329653   -10.989853   0.31700842    1.1301939    1.0083102 
-    6700    21.903749   -10.335477    1.3749575    1.0637119    1.0083102 
-    6800    21.188714   -10.545014    1.3448408    1.0415512    1.0083102 
-    6900    22.683005   -11.254371    0.5048545    1.1523546    1.0193906 
-    7000    21.224439   -9.7325551   0.71666112    1.0637119    1.0083102 
-    7100    21.712624   -10.594397    0.3657261    1.0858726    1.0193906 
-    7200    22.115857   -10.479237   0.95528164    1.0969529    1.0193906 
-    7300    22.075732      -11.255  -0.35340754    1.0526316    1.0193906 
-    7400    21.659767   -10.238454 -0.063639729    1.1523546    1.0083102 
-    7500    21.966354   -10.654264   0.36298903    1.0747922    1.0083102 
-    7600    21.541195   -11.151416   0.96453416    1.1080332    1.0193906 
-    7700    23.517228   -12.266781   0.49603585    1.1523546    1.0193906 
-    7800    21.665911   -11.832323   0.47104209    1.1080332    1.0083102 
-    7900    23.469372   -12.358423    -0.757413    1.0747922    1.0193906 
-    8000    21.699467   -11.462824  -0.73009236    1.0415512    1.0083102 
-    8100    21.583783    -10.21474   0.98837038    1.0969529    1.0193906 
-    8200    21.804998   -10.916922  -0.53268178    1.0858726    1.0083102 
-    8300    21.291145   -10.875356   0.81277146    1.0858726    1.0193906 
-    8400    21.939964   -10.726547   0.95830844    1.0415512    1.0193906 
-    8500    23.600157   -11.041255  -0.14583876    1.0747922    1.0083102 
-    8600     22.37787   -10.946852    1.0360646    1.0415512    1.0083102 
-    8700    23.591205   -11.524803    1.1877377    1.0526316    1.0304709 
-    8800    22.567007     -11.4629    0.4360461    1.0526316    1.0083102 
-    8900     22.11289   -11.772849 -0.019132631    1.0304709    1.0193906 
-    9000    22.814946   -11.705633   0.59029789    1.0747922    1.0083102 
-    9100     22.58487   -11.431283    0.9884223    1.1634349    1.0083102 
-    9200    23.283939   -11.825534   0.68358625    1.0637119    1.0083102 
-    9300    23.292444   -11.365494   0.78631005    1.0526316    1.0083102 
-    9400    21.748634    -10.16176   0.59185916    1.0969529    1.0083102 
-    9500    21.644797    -10.00944    1.1450108    1.0637119    1.0304709 
-    9600     23.01957   -10.683211    1.5735291    1.0637119    1.0193906 
-    9700    21.207989   -10.344668   0.34401867    1.0969529    1.0083102 
-    9800    22.035363   -10.849581  -0.14118639    1.0304709    1.0083102 
-    9900    21.839653   -10.008407   0.96570633    1.0526316    1.0193906 
-   10000    22.845561   -10.238723   0.74236932    1.0858726    1.0083102 
-Loop time of 0.812716 on 4 procs for 10000 steps with 361 atoms
-
-Performance: 5315508.362 tau/day, 12304.418 timesteps/s
-98.9% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.12434    | 0.13482    | 0.14506    |   2.5 | 16.59
-Bond    | 0.053339   | 0.058165   | 0.062916   |   1.9 |  7.16
-Neigh   | 0.28554    | 0.29233    | 0.29933    |   0.9 | 35.97
-Comm    | 0.16602    | 0.19226    | 0.21833    |   4.3 | 23.66
-Output  | 0.0017536  | 0.0019155  | 0.0022504  |   0.4 |  0.24
-Modify  | 0.040126   | 0.040341   | 0.04054    |   0.1 |  4.96
-Other   |            | 0.09288    |            |       | 11.43
-
-Nlocal:    90.25 ave 91 max 90 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-Nghost:    198.25 ave 206 max 191 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Neighs:    667.75 ave 751 max 627 min
-Histogram: 2 0 1 0 0 0 0 0 0 1
-
-Total # of neighbors = 2671
-Ave neighs/atom = 7.39889
-Ave special neighs/atom = 5.61773
-Neighbor list builds = 4832
-Dangerous builds = 0
-Total wall time: 0:00:00
--- a/examples/balance/log.27Sep16.balance.g++.4
+++ b/examples/balance/log.27Sep16.balance.g++.4
@ -1,202 +0,0 @@
-LAMMPS (26 Sep 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	atomic
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  2 by 2 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom c_1%10
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 2.48839 Mbytes
-Step Temp E_pair Press f_10[3] f_10 
-       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
-     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
-     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
-     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
-     400    26.522239   -29.965537    6.6787858    1.1855956    1.0193906 
-     500    25.725591   -29.168034   0.67065285    1.2520776    1.0083102 
-     600    26.247693   -29.692706    7.9887712    1.3074792    1.0083102 
-     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
-     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
-     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
-    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
-    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
-    1200    17.214459   -20.726965    6.3578917    1.0304709    1.0193906 
-    1300    16.424084   -19.757322    3.9028131    1.1191136    1.0083102 
-    1400    15.026954   -18.109911    1.7623684    1.0858726    1.0193906 
-    1500    13.640678   -16.740794    1.5347425    1.0858726    1.0193906 
-    1600    13.618211   -16.610276    1.9480883    1.0747922    1.0083102 
-    1700    13.266465   -16.300632    1.6890777    1.0637119    1.0193906 
-    1800    12.178444   -15.175544    2.1018989    1.0304709    1.0083102 
-    1900    12.131633   -15.075269    2.0174899    1.0526316    1.0193906 
-    2000    12.290785   -15.185923    1.8747772    1.0415512    1.0193906 
-    2100     12.02255   -14.947108     1.086185    1.0747922    1.0083102 
-    2200    11.733238   -14.620414   0.93934447    1.0526316    1.0193906 
-    2300    12.180779   -15.092283    1.1969416    1.0526316    1.0083102 
-    2400    11.721247   -14.503377    1.3759878    1.1080332    1.0083102 
-    2500    11.609116   -14.371603    2.0315139    1.0747922    1.0083102 
-    2600    11.712503   -14.494711    1.7236598    1.0415512    1.0193906 
-    2700    10.932816   -13.665751    1.2772732    1.0415512    1.0083102 
-    2800    10.418752   -13.183889    1.2940564    1.0415512    1.0193906 
-    2900    10.668297   -13.404525   0.90378659    1.0304709    1.0083102 
-    3000    10.562215   -13.581566    1.0507999    1.0083102    1.0193906 
-    3100    10.283188   -13.016565    1.0685664    1.0526316    1.0193906 
-    3200    10.424678   -13.136756    1.4038511    1.0193906    1.0083102 
-    3300    10.207304   -12.901323    1.3077174    1.0415512    1.0193906 
-    3400    10.143301   -12.802915    1.2776266    1.0415512    1.0193906 
-    3500    9.8449452   -12.507639    1.5455496    1.0637119    1.0083102 
-    3600    9.5629038   -12.204164   0.84971204    1.0304709    1.0083102 
-    3700    9.1851938   -11.809431    1.0102805    1.0304709    1.0193906 
-    3800    9.3305969   -11.989086   0.69923461    1.0193906    1.0083102 
-    3900    9.2415243   -11.880498    1.2471235    1.0637119    1.0193906 
-    4000    8.8240051   -11.417696   0.60781901    1.0304709    1.0083102 
-    4100    8.9126422   -11.503716   0.96900558    1.0083102    1.0083102 
-    4200    8.3738185    -10.93925   0.84927158    1.0193906    1.0083102 
-    4300    8.2401487    -10.90291   0.97775564    1.0083102    1.0083102 
-    4400     8.061288   -10.722169    1.4106859    1.0193906    1.0193906 
-    4500    7.8900038   -10.422818   0.67651486    1.0193906    1.0193906 
-    4600    7.8306694   -10.363812   0.83437455    1.0193906    1.0193906 
-    4700    8.1116499   -10.712008   0.58885383    1.0304709    1.0193906 
-    4800    8.0508103   -10.576232   0.52562827    1.0193906    1.0083102 
-    4900    7.8161815   -10.368333   0.89724847    1.0415512    1.0083102 
-    5000    7.4940002   -9.9763835     1.215446    1.0304709    1.0083102 
-    5100    7.9981403   -10.510786    1.0948502    1.0304709    1.0193906 
-    5200    7.7674668   -10.259031   0.81850586    1.0304709    1.0193906 
-    5300    7.9627913   -10.465018   0.75004253    1.0304709    1.0083102 
-    5400    7.8093696   -10.371624   0.75451812    1.0193906    1.0083102 
-    5500    8.1189569   -10.623288   0.91908416    1.0304709    1.0083102 
-    5600    7.5970957   -10.070305   0.84265844    1.0415512    1.0083102 
-    5700    7.4322203   -9.9176252   0.32608772    1.0304709    1.0083102 
-    5800    7.8210607   -10.311444   0.95696619    1.0304709    1.0083102 
-    5900    7.6181913   -10.111225    1.1341946    1.0193906    1.0083102 
-    6000    7.2217555   -9.7122281   0.75858423    1.0637119    1.0083102 
-    6100    7.3643302    -9.851242    0.5240439    1.0193906    1.0193906 
-    6200    7.0281589   -9.4834454   0.59523945    1.0526316    1.0193906 
-    6300    7.1383115   -9.6099868   0.87558078    1.0193906    1.0193906 
-    6400    7.2136999   -9.6965877   0.88426542    1.0304709    1.0083102 
-    6500    7.1710521   -9.7082917    1.2055959    1.0415512    1.0193906 
-    6600    7.4150515   -9.9376614   0.48201097    1.0304709    1.0083102 
-    6700    6.8701427   -9.3844769   0.72785561    1.0526316    1.0193906 
-    6800    6.8486978   -9.3256413   0.93231327    1.0193906    1.0083102 
-    6900     6.583533   -9.0068813   0.51281911    1.0193906    1.0193906 
-    7000    6.7199396   -9.1773668   0.12636874    1.0193906    1.0083102 
-    7100    6.5193695   -8.9553058    1.0423295    1.0083102    1.0193906 
-    7200    6.4868896   -8.9090695   0.49867926    1.0083102    1.0193906 
-    7300    6.2975635   -8.7775483   0.49072731    1.0415512    1.0083102 
-    7400    6.4966155   -8.9410837   0.52952897    1.0193906    1.0083102 
-    7500    6.7100139    -9.166691   0.82930078    1.0193906    1.0083102 
-    7600    6.3569418   -8.7843554   0.93473251    1.0193906    1.0083102 
-    7700     6.122789   -8.5434369   0.33725874    1.0526316    1.0083102 
-    7800    6.0249595   -8.4453069   0.52784464    1.0193906    1.0083102 
-    7900    6.6673238   -9.1166487   0.93753595    1.0193906    1.0083102 
-    8000    6.4177253   -8.8896071   0.57421674    1.0193906    1.0193906 
-    8100     5.965959   -8.3655023   0.42043964    1.0304709    1.0193906 
-    8200    6.3325216    -8.758339   0.76723151    1.0193906    1.0193906 
-    8300    6.4992751    -8.943922   0.86331769    1.0526316    1.0193906 
-    8400    6.1834495   -8.6059885   0.43133079    1.0415512    1.0193906 
-    8500    6.2567239   -8.6758815    0.8551113    1.0083102    1.0193906 
-    8600    6.1232623   -8.5905174    0.6014726    1.0304709    1.0083102 
-    8700    6.6650376   -9.0949995   0.46866086    1.0637119    1.0193906 
-    8800    6.6103957   -9.0116868   0.84371859    1.0083102    1.0193906 
-    8900    5.8867946   -8.3162884   0.64216189    1.0415512    1.0193906 
-    9000     5.685369   -8.0652138   0.32067903    1.0304709    1.0083102 
-    9100    6.2783881   -8.6826466   0.36419567    1.0415512    1.0304709 
-    9200    6.0162211   -8.4584809   0.58707128    1.0083102    1.0083102 
-    9300    5.9900511   -8.3949266   0.62037401    1.0304709    1.0193906 
-    9400    6.2686573   -8.6713334   0.81204427    1.0415512    1.0083102 
-    9500    6.0317917   -8.4325112   0.63221293    1.0304709    1.0193906 
-    9600    5.8217003    -8.256407     0.816143    1.0304709    1.0083102 
-    9700    5.6011023   -7.9966077    0.4114902    1.0304709    1.0193906 
-    9800    5.6339982   -8.0317639   0.32315576    1.0083102    1.0083102 
-    9900    5.8044743   -8.1942271   0.62892477    1.0193906    1.0083102 
-   10000    6.1722678   -8.5642925   0.80423557    1.0304709    1.0083102 
-Loop time of 0.39332 on 4 procs for 10000 steps with 361 atoms
-
-Performance: 10983420.832 tau/day, 25424.585 timesteps/s
-98.9% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.067888   | 0.075593   | 0.091022   |   3.3 | 19.22
-Neigh   | 0.071147   | 0.075568   | 0.085203   |   2.1 | 19.21
-Comm    | 0.10841    | 0.12918    | 0.14463    |   4.0 | 32.84
-Output  | 0.0017445  | 0.001877   | 0.0022032  |   0.4 |  0.48
-Modify  | 0.038837   | 0.039568   | 0.040469   |   0.3 | 10.06
-Other   |            | 0.07153    |            |       | 18.19
-
-Nlocal:    90.25 ave 91 max 90 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-Nghost:    22.25 ave 27 max 16 min
-Histogram: 1 0 0 0 0 0 2 0 0 1
-Neighs:    268.25 ave 400 max 133 min
-Histogram: 1 0 1 0 0 0 0 1 0 1
-
-Total # of neighbors = 1073
-Ave neighs/atom = 2.9723
-Neighbor list builds = 3611
-Dangerous builds = 0
-Total wall time: 0:00:00
--- a/examples/balance/log.5Oct16.balance.bond.fast.g++.4
+++ b/examples/balance/log.5Oct16.balance.bond.fast.g++.4
@ -0,0 +1,225 @@
+LAMMPS (5 Oct 2016)
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	bond
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box bond/types 1 extra/bond/per/atom 6
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+bond_style      harmonic
+bond_coeff      1 10.0 1.2
+
+# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
+
+special_bonds   lj/coul 0 1 1
+  0 = max # of 1-2 neighbors
+  1 = max # of special neighbors
+create_bonds    all all 1 1.0 1.5
+Neighbor list info ...
+  2 neighbor list requests
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4 -> bins = 42 29 1
+Added 1014 bonds, new total = 1014
+  6 = max # of 1-2 neighbors
+  6 = max # of special neighbors
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+comm_modify     cutoff 10.0   # because bonds stretch a long ways
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom (c_1%10)+1
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  1 neighbor list requests
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 10
+  binsize = 1.4 -> bins = 42 29 1
+Memory usage per processor = 4.49479 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -2.2032569    3.1039469    3.2354571    1.0526316 
+     100    27.623422    -6.228166    2.6542136    1.2631579    1.0083102 
+     200     33.35302   -15.746749    3.2018248    1.2963989    1.0193906 
+     300     39.17734     -24.1557    4.9116986    1.2963989    1.0193906 
+     400    41.660701   -27.615203    8.6214679    1.3518006    1.0083102 
+     500    37.154928   -24.096947    3.2656178    1.3296399    1.0193906 
+     600     35.05989   -21.524279    2.3728488    1.3296399    1.0083102 
+     700    36.705654   -21.984526    3.2984899    1.3296399    1.0083102 
+     800    39.631254   -25.783472    4.1595658    1.3961219    1.0083102 
+     900    38.122407   -24.836728    5.3619155    1.3628809    1.0083102 
+    1000    38.369965   -25.098561    4.5613077    1.3074792    1.0083102 
+    1100    36.448264   -25.295817    4.0134469    1.1966759    1.0193906 
+    1200    33.216313   -21.813423      4.48954    1.1634349    1.0304709 
+    1300    30.361077   -20.323335    4.8079549    1.0637119    1.0083102 
+    1400    29.368132   -18.532543    3.8449914    1.1191136    1.0083102 
+    1500    27.699395   -15.990271    2.1565226    1.1523546    1.0304709 
+    1600    25.304973   -14.626675   0.91025038    1.1301939    1.0083102 
+    1700    26.335273   -14.499134    1.2878263    1.1855956    1.0083102 
+    1800    25.755278   -13.121269   0.78425366    1.1745152    1.0193906 
+    1900    25.454743   -13.903724  -0.16644734    1.1080332    1.0083102 
+    2000     25.54829   -13.271068    1.9214248    1.0969529    1.0083102 
+    2100    26.663083   -13.423796    1.9699997    1.1080332    1.0083102 
+    2200    27.707332   -13.759474    1.5528121    1.1412742    1.0304709 
+    2300    26.649636   -14.246313   0.91466777    1.1412742    1.0193906 
+    2400     25.92802    -13.16271    1.0298936    1.1301939    1.0193906 
+    2500    24.992275   -12.299161    1.3078979    1.1301939    1.0083102 
+    2600    26.235185   -13.363142    2.0756764    1.2188366    1.0083102 
+    2700    27.235116    -15.57943    2.1120604    1.1745152    1.0083102 
+    2800    25.313585   -14.352196    2.1442169    1.0637119    1.0083102 
+    2900    23.472278   -13.686216   0.69404738    1.0637119    1.0193906 
+    3000     21.02552   -11.646464   0.56287643    1.0747922    1.0083102 
+    3100    20.746946   -10.721207  -0.67351842    1.0858726    1.0193906 
+    3200    20.330655   -10.307715  -0.30221601    1.0637119    1.0083102 
+    3300     22.84995   -11.104879 0.0039310975    1.1191136    1.0083102 
+    3400     23.23878   -11.827018   0.80792932    1.1301939    1.0193906 
+    3500    25.262491   -12.191616   0.83249221    1.0747922    1.0193906 
+    3600     25.08542    -13.10456    1.3164581    1.0969529    1.0193906 
+    3700    22.649046   -11.300822   0.20123604    1.0526316    1.0193906 
+    3800    20.516849   -9.7738907  -0.45160364    1.0637119    1.0083102 
+    3900    20.227823   -9.8156456   -1.4386994    1.0637119    1.0083102 
+    4000    21.511004   -9.6074826   0.83933362    1.1080332    1.0083102 
+    4100    24.569081   -12.671563   0.60105671    1.0858726    1.0193906 
+    4200    24.739215   -11.654269   0.66172409    1.0969529    1.0083102 
+    4300    22.433043   -10.921392    1.2813391    1.1634349    1.0083102 
+    4400    22.520504    -10.59901   0.10799908    1.0193906    1.0083102 
+    4500    21.799185   -9.5801426  0.057062661    1.1191136    1.0193906 
+    4600    22.537171   -9.9647087  -0.70915155    1.1412742    1.0083102 
+    4700    22.380783   -10.974234  -0.73703011    1.0858726    1.0083102 
+    4800    23.991602   -11.171402    1.3314176    1.0415512    1.0193906 
+    4900    23.077116   -12.281132   0.73818416    1.0858726    1.0083102 
+    5000    23.180253   -11.702364   0.84176858    1.1080332    1.0193906 
+    5100    21.079712   -11.204743   0.50038687    1.0747922    1.0083102 
+    5200    21.348945   -10.802581  -0.28651467    1.1634349    1.0193906 
+    5300    21.332913   -10.352697   0.46738209    1.0858726    1.0193906 
+    5400    22.283885   -10.635637  -0.31446485    1.0415512    1.0083102 
+    5500    21.404737   -9.7733531   0.61106958    1.0858726    1.0193906 
+    5600    23.013417   -10.291315    1.0562031    1.0969529    1.0083102 
+    5700    22.087964   -10.931365  0.071180576    1.0415512    1.0193906 
+    5800    24.011278   -11.080032    1.3901123    1.0637119    1.0193906 
+    5900    22.320482   -10.616071   0.57726663    1.1412742    1.0193906 
+    6000    23.348377   -12.116776   0.59306932    1.1191136    1.0193906 
+    6100     22.20822   -11.545749  0.035299394    1.0747922    1.0193906 
+    6200    22.810467   -10.598645    0.3296656    1.0415512    1.0083102 
+    6300    21.398957   -10.058479   0.66795602    1.0415512    1.0193906 
+    6400    21.945005   -10.358622   -1.0094405    1.0415512    1.0083102 
+    6500    22.906408   -10.767788    1.0948374    1.0858726    1.0083102 
+    6600    23.326617   -11.264481   0.82773039    1.0747922    1.0083102 
+    6700    22.491386    -10.27014  0.043938534    1.0526316    1.0193906 
+    6800    22.294374   -10.664685  0.048726237    1.1191136    1.0083102 
+    6900    22.221286   -10.697394    1.0354647    1.0415512    1.0193906 
+    7000    21.693738   -10.009277   0.64426437    1.0858726    1.0083102 
+    7100    22.775615   -11.372061  0.069159076    1.1191136    1.0193906 
+    7200    22.274683   -11.583382  -0.35907789    1.0858726    1.0193906 
+    7300    21.410706   -11.005479  -0.66394825    1.1080332    1.0083102 
+    7400    21.910735   -9.9354265   0.78899083    1.0526316    1.0083102 
+    7500    21.526738   -9.7787506  -0.38232161    1.0415512    1.0083102 
+    7600    21.833898   -10.289457  0.058939882    1.0747922    1.0193906 
+    7700    21.606736   -9.6807332   0.50127515    1.0526316    1.0083102 
+    7800    22.294657   -10.790285    0.8685065    1.0637119    1.0083102 
+    7900    23.269713   -11.375434   0.84634431    1.0969529    1.0304709 
+    8000    22.865151   -10.960251    1.0270422    1.0526316    1.0304709 
+    8100    21.656008   -10.504825    1.2228537    1.0304709    1.0193906 
+    8200    24.494122   -12.282009   0.16316531    1.0526316    1.0193906 
+    8300    22.974267   -11.287149 -0.035076799    1.0747922    1.0193906 
+    8400    21.052237   -11.243181 -0.099450689    1.0747922    1.0193906 
+    8500    22.661383   -11.090107  -0.22913242    1.0969529    1.0193906 
+    8600    21.403272   -9.5267458  -0.28047198    1.0637119    1.0193906 
+    8700    22.786699   -10.403836   0.40752047    1.0415512    1.0193906 
+    8800    24.504694   -10.706052    1.1870205    1.0969529    1.0193906 
+    8900     23.22256   -11.182967   0.64166445    1.0747922    1.0304709 
+    9000    23.734203   -10.422277    1.3143506    1.1191136    1.0304709 
+    9100    23.517258   -11.247418  -0.13540081    1.0193906    1.0193906 
+    9200    23.128204   -9.9181617    1.0928284    1.1412742    1.0083102 
+    9300    23.281107   -10.523942  0.011923998    1.0969529    1.0193906 
+    9400    21.800282   -10.359413  -0.62145559    1.1412742    1.0193906 
+    9500    24.910955   -11.786562    1.6227559    1.1301939    1.0193906 
+    9600    24.331432   -11.802048   0.62882542    1.1191136    1.0083102 
+    9700    22.340782   -10.531555   0.29842716    1.0415512    1.0193906 
+    9800    22.371239   -10.384104   0.34253854    1.0415512    1.0083102 
+    9900    22.289367   -9.9488634   0.29499176    1.1412742    1.0083102 
+   10000    22.518865   -10.279548  -0.48356734    1.1745152    1.0083102 
+Loop time of 0.879172 on 4 procs for 10000 steps with 361 atoms
+
+Performance: 4913715.115 tau/day, 11374.341 timesteps/s
+99.2% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.11586    | 0.13009    | 0.14055    |   2.7 | 14.80
+Bond    | 0.054003   | 0.058475   | 0.063238   |   1.8 |  6.65
+Neigh   | 0.2865     | 0.29554    | 0.3049     |   1.2 | 33.62
+Comm    | 0.20988    | 0.24193    | 0.27748    |   4.9 | 27.52
+Output  | 0.0021532  | 0.0023131  | 0.00266    |   0.4 |  0.26
+Modify  | 0.043945   | 0.045592   | 0.047122   |   0.6 |  5.19
+Other   |            | 0.1052     |            |       | 11.97
+
+Nlocal:    90.25 ave 91 max 90 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    250.25 ave 257 max 247 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+Neighs:    624.75 ave 739 max 519 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+
+Total # of neighbors = 2499
+Ave neighs/atom = 6.92244
+Ave special neighs/atom = 5.61773
+Neighbor list builds = 4881
+Dangerous builds = 0
+Total wall time: 0:00:00
--- a/examples/balance/log.27Sep16.balance.bond.slow.g++.4
+++ b/examples/balance/log.27Sep16.balance.bond.slow.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 2d circle of particles inside a box with LJ walls

 variable        b index 0
@ -108,9 +108,9 @@ Step Temp E_pair Press f_10[3] f_10
    1300   0.32952819            0     0.124902    1.0083102    1.0083102 
    1400   0.34497365            0   0.12662081    1.0193906    1.0083102 
    1500   0.33429243            0  0.096230972    1.0526316    1.0193906 
-    1600   0.33765387            0  0.025800542    1.0304709    1.0193906 
+    1600   0.33765387            0  0.025800542    1.0304709    1.0083102 
    1700   0.35134464            0  -0.04422593    1.0415512    1.0083102 
-    1800   0.35003859            0 -0.096745576    1.0304709    1.0083102 
+    1800   0.35003859            0 -0.096745576    1.0304709    1.0193906 
    1900   0.33839618            0 -0.095465943    1.0193906    1.0083102 
    2000   0.33732078            0 -0.094652802    1.0083102    1.0083102 
    2100   0.34552238            0 -0.076729261    1.0304709    1.0083102 
@ -181,9 +181,9 @@ Step Temp E_pair Press f_10[3] f_10
    8600   0.33761673            0  -0.07069818    1.0193906    1.0083102 
    8700   0.34495452            0 -0.022458056    1.0193906    1.0193906 
    8800   0.33502983            0  0.027742411    1.0304709    1.0083102 
-    8900   0.35418591            0  0.092390134    1.0083102    1.0193906 
+    8900   0.35418591            0  0.092390134    1.0083102    1.0083102 
    9000   0.31648387            0   0.12467398    1.0193906    1.0083102 
-    9100   0.33994825            0   0.14460327    1.0193906    1.0083102 
+    9100   0.33994825            0   0.14460327    1.0193906    1.0193906 
    9200   0.33822571            0   0.11273284    1.0193906    1.0083102 
    9300   0.33260773            0  0.060063671    1.0083102    1.0193906 
    9400   0.36140305            0  0.021427642    1.0193906    1.0083102 
@ -192,18 +192,18 @@ Step Temp E_pair Press f_10[3] f_10
    9700   0.32088235            0  -0.12027075    1.0193906    1.0083102 
    9800    0.3320823            0  -0.11602794    1.0415512    1.0083102 
    9900   0.33916442            0 -0.080281044    1.0083102    1.0083102 
-   10000   0.34852268            0  -0.01000914    1.0193906    1.0083102 
+   10000   0.34852268            0  -0.01000914    1.0193906    1.0193906 
   10100   0.32955942            0   0.04258493    1.0083102    1.0083102 
   10200   0.34487898            0  0.086971308    1.0304709    1.0083102 
-   10300   0.32325593            0   0.11558149    1.0304709    1.0193906 
-   10400   0.30927871            0   0.12239437    1.0083102    1.0083102 
+   10300   0.32325593            0   0.11558149    1.0304709    1.0083102 
+   10400   0.30927871            0   0.12239437    1.0083102    1.0193906 
   10500   0.33176799            0   0.12285937    1.0193906    1.0083102 
   10600   0.35120027            0  0.084897432    1.0083102    1.0083102 
   10700   0.33129697            0 0.0053089279    1.0193906    1.0193906 
   10800   0.36028769            0  -0.04280715    1.0193906    1.0083102 
-   10900   0.35552287            0 -0.084955999    1.0193906    1.0193906 
+   10900   0.35552287            0 -0.084955999    1.0193906    1.0304709 
   11000    0.3406024            0 -0.096554577    1.0083102    1.0083102 
-   11100   0.33041202            0  -0.10703492    1.0304709    1.0193906 
+   11100   0.33041202            0  -0.10703492    1.0304709    1.0083102 
   11200   0.32442686            0 -0.084328121    1.0304709    1.0083102 
   11300   0.35952468            0 -0.020191965    1.0304709    1.0193906 
   11400   0.34610624            0   0.03440148    1.0193906    1.0083102 
@ -214,7 +214,7 @@ Step Temp E_pair Press f_10[3] f_10
   11900   0.33836678            0  0.067253864    1.0193906    1.0193906 
   12000   0.34853314            0   0.03201448    1.0193906    1.0083102 
   12100   0.34600048            0 -0.034833402    1.0304709    1.0083102 
-   12200   0.33145631            0  -0.09865675    1.0193906    1.0083102 
+   12200   0.33145631            0  -0.09865675    1.0193906    1.0193906 
   12300   0.32848884            0   -0.1248489    1.0193906    1.0193906 
   12400    0.3321344            0  -0.11266575    1.0083102    1.0083102 
   12500   0.32622305            0 -0.061634993    1.0304709    1.0083102 
@ -225,11 +225,11 @@ Step Temp E_pair Press f_10[3] f_10
   13000   0.31993287            0   0.13879926    1.0193906    1.0193906 
   13100    0.3422918            0   0.11978905    1.0083102    1.0083102 
   13200   0.33055236            0  0.062620483    1.0193906    1.0083102 
-   13300   0.34652207            0 0.0043833459    1.0304709    1.0083102 
-   13400   0.33574661            0  -0.04691024    1.0304709    1.0083102 
-   13500   0.33940837            0 -0.074241604    1.0304709    1.0083102 
-   13600   0.32093414            0   -0.1078027    1.0193906    1.0193906 
-   13700   0.34336597            0  -0.10544097    1.0193906    1.0193906 
+   13300   0.34652207            0 0.0043833459    1.0304709    1.0193906 
+   13400   0.33574661            0  -0.04691024    1.0304709    1.0193906 
+   13500   0.33940837            0 -0.074241604    1.0304709    1.0193906 
+   13600   0.32093414            0   -0.1078027    1.0193906    1.0083102 
+   13700   0.34336597            0  -0.10544097    1.0193906    1.0083102 
   13800   0.35806461            0 -0.072531559    1.0193906    1.0083102 
   13900   0.35209713            0 -0.018851408    1.0083102    1.0083102 
   14000   0.35702629            0  0.061046366    1.0083102    1.0083102 
@ -240,18 +240,18 @@ Step Temp E_pair Press f_10[3] f_10
   14500   0.35022184            0  0.083558031    1.0083102    1.0193906 
   14600   0.34823843            0  0.024605569    1.0083102    1.0083102 
   14700   0.35298973            0 -0.040418888    1.0193906    1.0083102 
-   14800   0.33679845            0  -0.10067728    1.0193906    1.0193906 
+   14800   0.33679845            0  -0.10067728    1.0193906    1.0083102 
   14900   0.32790966            0  -0.10925568    1.0193906    1.0083102 
   15000   0.34208495            0  -0.09568004    1.0193906    1.0083102 
   15100   0.33647529            0 -0.055652929    1.0083102    1.0083102 
   15200   0.35328398            0 -0.020236536    1.0193906    1.0193906 
   15300   0.34252669            0  0.026434179    1.0083102    1.0193906 
   15400   0.34409435            0  0.094410599    1.0304709    1.0083102 
-   15500   0.32288994            0   0.12034455    1.0415512    1.0193906 
+   15500   0.32288994            0   0.12034455    1.0415512    1.0083102 
   15600   0.32109689            0   0.13645185    1.0193906    1.0083102 
-   15700   0.33681572            0  0.098607746    1.0415512    1.0193906 
+   15700   0.33681572            0  0.098607746    1.0415512    1.0083102 
   15800   0.33635195            0   0.05570715    1.0193906    1.0193906 
-   15900   0.34289757            0  0.013849092    1.0304709    1.0083102 
+   15900   0.34289757            0  0.013849092    1.0304709    1.0193906 
   16000   0.34225547            0 -0.035597548    1.0304709    1.0083102 
   16100   0.33660991            0 -0.076931881    1.0193906    1.0193906 
   16200   0.32802152            0  -0.12765884    1.0083102    1.0083102 
@ -261,23 +261,23 @@ Step Temp E_pair Press f_10[3] f_10
   16600   0.35109001            0  0.041251169    1.0304709    1.0083102 
   16700   0.34336905            0  0.077996627    1.0193906    1.0083102 
   16800   0.33277414            0   0.11053634    1.0083102    1.0083102 
-   16900   0.32183338            0   0.11680626    1.0193906    1.0193906 
+   16900   0.32183338            0   0.11680626    1.0193906    1.0083102 
   17000   0.34044352            0   0.10806555    1.0193906    1.0083102 
   17100   0.32967873            0  0.067759786    1.0304709    1.0193906 
   17200   0.36172278            0 -0.0048631904    1.0304709    1.0083102 
   17300   0.35619435            0  -0.04215545    1.0193906    1.0083102 
-   17400   0.34540936            0 -0.093994174    1.0193906    1.0193906 
+   17400   0.34540936            0 -0.093994174    1.0193906    1.0083102 
   17500   0.33193585            0 -0.098831315    1.0083102    1.0193906 
   17600    0.3544756            0 -0.085660403    1.0193906    1.0083102 
   17700   0.34505209            0 -0.069640515    1.0304709    1.0193906 
   17800   0.36291124            0 -0.0063088133    1.0083102    1.0193906 
   17900   0.34255705            0  0.046794555    1.0304709    1.0083102 
-   18000   0.34163238            0   0.11767705    1.0193906    1.0083102 
+   18000   0.34163238            0   0.11767705    1.0193906    1.0193906 
   18100    0.3466445            0    0.1351712    1.0415512    1.0193906 
   18200   0.33037668            0   0.12703659    1.0083102    1.0083102 
   18300   0.33677404            0   0.10956306    1.0083102    1.0304709 
   18400   0.34978954            0  0.087193072    1.0193906    1.0193906 
-   18500   0.33354363            0  0.051095814    1.0526316    1.0193906 
+   18500   0.33354363            0  0.051095814    1.0526316    1.0083102 
   18600   0.34651729            0 0.0056245561    1.0304709    1.0193906 
   18700   0.32622232            0 -0.047319269    1.0083102    1.0193906 
   18800   0.32978847            0 -0.054929416    1.0304709    1.0193906 
@ -298,8 +298,8 @@ Step Temp E_pair Press f_10[3] f_10
   20300   0.34195438            0  0.072811099    1.0304709    1.0193906 
   20400   0.31249563            0   0.10063541    1.0415512    1.0083102 
   20500   0.31544938            0    0.1405794    1.0083102    1.0083102 
-   20600   0.30071644            0   0.12763486    1.0193906    1.0193906 
-   20700    0.2890265            0    0.1136651    1.0083102    1.0193906 
+   20600   0.30071644            0   0.12763486    1.0193906    1.0304709 
+   20700    0.2890265            0    0.1136651    1.0083102    1.0083102 
   20800   0.28962296            0  0.094481978    1.0193906    1.0083102 
   20900   0.29447212            0    0.0967165    1.0193906    1.0193906 
   21000   0.31159961            0  0.067307231    1.0083102    1.0083102 
@ -314,7 +314,7 @@ Step Temp E_pair Press f_10[3] f_10
   21900   0.32451958            0  0.068935768    1.0304709    1.0193906 
   22000   0.35219298            0  0.067161227    1.0193906    1.0193906 
   22100   0.34857705            0  0.032731746    1.0193906    1.0083102 
-   22200   0.34750227            0 0.0056917695    1.0193906    1.0193906 
+   22200   0.34750227            0 0.0056917695    1.0193906    1.0083102 
   22300   0.34766017            0 -0.0027090483    1.0193906    1.0083102 
   22400   0.33426062            0 -0.023196063    1.0304709    1.0193906 
   22500   0.34174625            0 -0.025019717    1.0083102    1.0083102 
@ -328,15 +328,15 @@ Step Temp E_pair Press f_10[3] f_10
   23300   0.32965664            0  0.035989589    1.0193906    1.0083102 
   23400   0.30927749            0  0.024581106    1.0193906    1.0083102 
   23500   0.32890632            0   0.01092479    1.0304709    1.0193906 
-   23600   0.34137438            0 0.0094839745    1.0193906    1.0193906 
+   23600   0.34137438            0 0.0094839745    1.0193906    1.0083102 
   23700   0.34512638            0 -0.012392771    1.0304709    1.0193906 
   23800   0.31781354            0 -0.012908449    1.0193906    1.0193906 
-   23900   0.32405513            0 -0.015018071    1.0415512    1.0083102 
+   23900   0.32405513            0 -0.015018071    1.0415512    1.0193906 
   24000   0.33549728            0 -0.012812915    1.0193906    1.0193906 
   24100   0.31368736            0 -0.020818372    1.0304709    1.0193906 
-   24200   0.33533836            0 0.0056121057    1.0083102    1.0193906 
+   24200   0.33533836            0 0.0056121057    1.0083102    1.0083102 
   24300   0.32530627            0  0.018183931    1.0415512    1.0083102 
-   24400   0.31930662            0  0.027446878    1.0083102    1.0083102 
+   24400   0.31930662            0  0.027446878    1.0083102    1.0193906 
   24500   0.33540302            0  0.040307455    1.0304709    1.0083102 
   24600   0.34020431            0  0.027403921    1.0083102    1.0083102 
   24700    0.3291814            0   0.01204865    1.0193906    1.0083102 
@ -357,29 +357,29 @@ Step Temp E_pair Press f_10[3] f_10
   26200   0.35097144            0  0.012291703    1.0083102    1.0083102 
   26300   0.34303792            0 0.00094823191    1.0083102    1.0193906 
   26400   0.33632665            0 -0.0026904889    1.0193906    1.0193906 
-   26500   0.33580127            0 -0.0074168555    1.0193906    1.0083102 
+   26500   0.33580127            0 -0.0074168555    1.0193906    1.0193906 
   26600   0.33063188            0 -0.020378601    1.0083102    1.0193906 
   26700   0.33581846            0 -0.00084397268    1.0083102    1.0193906 
-   26800   0.32998532            0  0.015932208    1.0304709    1.0193906 
+   26800   0.32998532            0  0.015932208    1.0304709    1.0304709 
   26900   0.33825444            0  0.010428603    1.0304709    1.0083102 
   27000   0.32081518            0  0.019818223    1.0304709    1.0193906 
   27100   0.31448098            0  0.020093416    1.0193906    1.0083102 
   27200   0.32643684            0  0.021934917    1.0083102    1.0083102 
   27300   0.33289466            0  0.023713072    1.0415512    1.0083102 
   27400   0.32310744            0  0.024110945    1.0415512    1.0083102 
-   27500   0.33115619            0 0.0025776713    1.0304709    1.0193906 
+   27500   0.33115619            0 0.0025776713    1.0304709    1.0083102 
   27600   0.33295887            0 -0.010710764    1.0304709    1.0193906 
-   27700   0.32968876            0 -0.0064595905    1.0193906    1.0193906 
+   27700   0.32968876            0 -0.0064595905    1.0193906    1.0083102 
   27800   0.34064581            0 -0.0086519116    1.0193906    1.0083102 
   27900   0.33559187            0 -0.0055753593    1.0083102    1.0083102 
   28000   0.32300727            0 -0.0004153384    1.0304709    1.0083102 
-   28100   0.32147461            0 -0.0058543412    1.0083102    1.0083102 
+   28100   0.32147461            0 -0.0058543412    1.0083102    1.0193906 
   28200   0.35532383            0  0.013646951    1.0304709    1.0083102 
-   28300   0.31507942            0  0.026532255    1.0415512    1.0083102 
+   28300   0.31507942            0  0.026532255    1.0415512    1.0193906 
   28400   0.32711006            0  0.033214981    1.0193906    1.0083102 
   28500   0.34472462            0  0.028050837    1.0304709    1.0193906 
   28600   0.33708059            0  0.019115676    1.0083102    1.0083102 
-   28700   0.34478087            0  0.023743689    1.0304709    1.0193906 
+   28700   0.34478087            0  0.023743689    1.0304709    1.0083102 
   28800   0.34546686            0 0.0081772997    1.0304709    1.0083102 
   28900   0.34004886            0  0.017771865    1.0415512    1.0193906 
   29000   0.33604232            0 -0.010505671    1.0304709    1.0193906 
@ -408,24 +408,24 @@ Step Temp E_pair Press f_10[3] f_10
   31300   0.32372541            0   0.01215566    1.0083102    1.0083102 
   31400   0.32734692            0  0.016229397    1.0083102    1.0083102 
   31500   0.33089262            0 0.0060426618    1.0083102    1.0083102 
-   31600   0.34273493            0 -0.013456537    1.0083102    1.0083102 
-   31700   0.32723905            0 -0.019243766    1.0193906    1.0083102 
+   31600   0.34273493            0 -0.013456537    1.0083102    1.0193906 
+   31700   0.32723905            0 -0.019243766    1.0193906    1.0193906 
   31800   0.33636488            0 0.0027814902    1.0083102    1.0083102 
-   31900   0.32834805            0   0.00706877    1.0083102    1.0193906 
+   31900   0.32834805            0   0.00706877    1.0083102    1.0083102 
   32000   0.33995148            0 0.0018383309    1.0193906    1.0193906 
   32100   0.33412282            0 0.0076455933    1.0083102    1.0083102 
   32200   0.34334884            0  0.023586129    1.0083102    1.0083102 
   32300   0.32778925            0  0.020564321    1.0193906    1.0083102 
   32400   0.33163443            0  0.038878463    1.0193906    1.0083102 
   32500   0.32290345            0  0.022247461    1.0193906    1.0193906 
-   32600   0.34113954            0  0.010966365    1.0304709    1.0193906 
+   32600   0.34113954            0  0.010966365    1.0304709    1.0083102 
   32700   0.33390633            0 0.0037777555    1.0193906    1.0083102 
   32800   0.34385341            0  0.010556575    1.0193906    1.0193906 
   32900   0.32137047            0 0.00022027143    1.0526316    1.0193906 
   33000   0.32079172            0 -0.017261272    1.0193906    1.0193906 
   33100   0.33570882            0 -0.0051942206    1.0083102    1.0083102 
-   33200   0.34320894            0 -0.011515281    1.0304709    1.0083102 
-   33300   0.32794746            0 -0.0018153673    1.0083102    1.0193906 
+   33200   0.34320894            0 -0.011515281    1.0304709    1.0193906 
+   33300   0.32794746            0 -0.0018153673    1.0083102    1.0083102 
   33400   0.33060982            0  0.027118146    1.0193906    1.0083102 
   33500   0.33641809            0   0.02143035    1.0083102    1.0083102 
   33600   0.33643061            0  0.020833068    1.0193906    1.0083102 
@ -434,7 +434,7 @@ Step Temp E_pair Press f_10[3] f_10
   33900   0.31959761            0  0.021128147    1.0083102    1.0193906 
   34000   0.33897984            0  0.015270986    1.0193906    1.0083102 
   34100   0.32392267            0 0.0020130852    1.0304709    1.0193906 
-   34200   0.33084514            0 -0.024316708    1.0193906    1.0193906 
+   34200   0.33084514            0 -0.024316708    1.0193906    1.0083102 
   34300    0.3342259            0 -0.0059047764    1.0193906    1.0304709 
   34400   0.33385098            0 0.0063818721    1.0193906    1.0083102 
   34500   0.33255603            0  -0.01023837    1.0083102    1.0304709 
@ -446,7 +446,7 @@ Step Temp E_pair Press f_10[3] f_10
   35100    0.3124942            0  0.011316548    1.0193906    1.0193906 
   35200   0.34486416            0  0.011670127    1.0193906    1.0193906 
   35300   0.33275353            0  0.020491246    1.0193906    1.0193906 
-   35400   0.33618763            0  0.014678874    1.0083102    1.0193906 
+   35400   0.33618763            0  0.014678874    1.0083102    1.0083102 
   35500   0.32352282            0 -0.018568683    1.0193906    1.0193906 
   35600   0.32617903            0 -0.012796912    1.0193906    1.0193906 
   35700   0.32378048            0 -0.021318585    1.0193906    1.0083102 
@ -459,15 +459,15 @@ Step Temp E_pair Press f_10[3] f_10
   36400   0.32301096            0  0.019966746    1.0304709    1.0083102 
   36500   0.35612028            0  0.036509556    1.0083102    1.0083102 
   36600   0.33841597            0 -0.0042180605    1.0193906    1.0193906 
-   36700   0.34477654            0 -0.0052770853    1.0193906    1.0193906 
+   36700   0.34477654            0 -0.0052770853    1.0193906    1.0083102 
   36800   0.33804317            0 -0.013751733    1.0083102    1.0083102 
-   36900   0.35003816            0 -0.0021184393    1.0083102    1.0193906 
+   36900   0.35003816            0 -0.0021184393    1.0083102    1.0083102 
   37000   0.32965041            0 -0.020900951    1.0193906    1.0083102 
   37100   0.34653095            0 -0.013667977    1.0193906    1.0083102 
   37200   0.35019871            0 -0.0071740923    1.0083102    1.0193906 
   37300   0.34859745            0   0.02006041    1.0304709    1.0083102 
   37400   0.35739859            0  0.020892822    1.0193906    1.0083102 
-   37500   0.34128859            0  0.041072111    1.0193906    1.0083102 
+   37500   0.34128859            0  0.041072111    1.0193906    1.0193906 
   37600   0.33781905            0  0.023376738    1.0193906    1.0083102 
   37700   0.32961874            0  0.030953741    1.0193906    1.0083102 
   37800     0.343987            0  0.029579795    1.0083102    1.0083102 
@ -481,7 +481,7 @@ Step Temp E_pair Press f_10[3] f_10
   38600   0.32322402            0  0.053453832    1.0193906    1.0304709 
   38700   0.33843057            0  0.076264534    1.0083102    1.0193906 
   38800   0.31350741            0  0.064733869    1.0415512    1.0083102 
-   38900   0.31943061            0  0.067836769    1.0304709    1.0083102 
+   38900   0.31943061            0  0.067836769    1.0304709    1.0193906 
   39000   0.33775583            0    0.0788316    1.0193906    1.0193906 
   39100   0.34256036            0  0.075874935    1.0083102    1.0193906 
   39200   0.33128527            0  0.071610976    1.0193906    1.0083102 
@ -493,21 +493,21 @@ Step Temp E_pair Press f_10[3] f_10
   39800   0.34878036            0 0.0092881327    1.0083102    1.0193906 
   39900   0.35225411            0 -0.011341599    1.0083102    1.0193906 
   40000   0.36309266            0 0.0050869295    1.0304709    1.0083102 
-Loop time of 1.07961 on 4 procs for 40000 steps with 361 atoms
+Loop time of 1.17534 on 4 procs for 40000 steps with 361 atoms

-Performance: 16005824.195 tau/day, 37050.519 timesteps/s
-99.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 14702186.196 tau/day, 34032.838 timesteps/s
+99.0% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.019289   | 0.021061   | 0.024797   |   1.5 |  1.95
-Bond    | 0.21005    | 0.23732    | 0.26838    |   5.0 | 21.98
-Neigh   | 0.15978    | 0.16143    | 0.16328    |   0.4 | 14.95
-Comm    | 0.2817     | 0.32626    | 0.36457    |   5.8 | 30.22
-Output  | 0.0069985  | 0.0075181  | 0.0087821  |   0.8 |  0.70
-Modify  | 0.1463     | 0.15235    | 0.16128    |   1.5 | 14.11
-Other   |            | 0.1737     |            |       | 16.09
+Pair    | 0.019205   | 0.020313   | 0.022204   |   0.8 |  1.73
+Bond    | 0.21255    | 0.23651    | 0.26839    |   4.9 | 20.12
+Neigh   | 0.16301    | 0.16427    | 0.16578    |   0.3 | 13.98
+Comm    | 0.33528    | 0.37951    | 0.4139     |   5.3 | 32.29
+Output  | 0.0084457  | 0.0089972  | 0.010254   |   0.8 |  0.77
+Modify  | 0.15906    | 0.16078    | 0.16308    |   0.4 | 13.68
+Other   |            | 0.205      |            |       | 17.44

 Nlocal:    90.25 ave 91 max 89 min
 Histogram: 1 0 0 0 0 1 0 0 0 2
--- a/examples/balance/log.27Sep16.balance.clock.dynamic.g++.4
+++ b/examples/balance/log.27Sep16.balance.clock.dynamic.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -70,27 +70,27 @@ Step Temp E_pair E_mol TotEng Press Volume
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
-Loop time of 2.31899 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.33547 on 4 procs for 500 steps with 4000 atoms

-Performance: 93143.824 tau/day, 215.611 timesteps/s
+Performance: 92486.710 tau/day, 214.090 timesteps/s
 99.4% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1238     | 1.43       | 1.6724     |  19.4 | 61.66
-Neigh   | 0.26414    | 0.3845     | 0.55604    |  20.2 | 16.58
-Comm    | 0.36444    | 0.48475    | 0.61759    |  15.3 | 20.90
-Output  | 0.00027871 | 0.00032145 | 0.00035334 |   0.2 |  0.01
-Modify  | 0.0064867  | 0.0086303  | 0.011487   |   2.3 |  0.37
-Other   |            | 0.01078    |            |       |  0.46
+Pair    | 1.1405     | 1.4342     | 1.6755     |  19.8 | 61.41
+Neigh   | 0.26612    | 0.40331    | 0.57095    |  21.3 | 17.27
+Comm    | 0.3676     | 0.47776    | 0.60114    |  14.4 | 20.46
+Output  | 0.00025606 | 0.00029331 | 0.00032091 |   0.1 |  0.01
+Modify  | 0.0068483  | 0.008993   | 0.012159   |   2.3 |  0.39
+Other   |            | 0.01091    |            |       |  0.47

-Nlocal:    1000 ave 1565 max 584 min
+Nlocal:    1000 ave 1541 max 597 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8752 ave 9835 max 8078 min
+Nghost:    8756.5 ave 9859 max 8068 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    149308 ave 161748 max 133300 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
+Neighs:    149308 ave 164475 max 126288 min
+Histogram: 1 0 0 0 1 0 0 0 0 2

 Total # of neighbors = 597231
 Ave neighs/atom = 149.308
@ -110,27 +110,27 @@ Step Temp E_pair E_mol TotEng Press Volume
     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
-Loop time of 2.32391 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.16422 on 4 procs for 500 steps with 4000 atoms

-Performance: 92946.753 tau/day, 215.155 timesteps/s
+Performance: 99804.786 tau/day, 231.030 timesteps/s
 99.4% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1054     | 1.4081     | 1.6402     |  19.8 | 60.59
-Neigh   | 0.28061    | 0.4047     | 0.57291    |  19.7 | 17.41
-Comm    | 0.38485    | 0.4918     | 0.62503    |  15.5 | 21.16
-Output  | 0.00028014 | 0.00031483 | 0.00032997 |   0.1 |  0.01
-Modify  | 0.0064781  | 0.0084658  | 0.011106   |   2.2 |  0.36
-Other   |            | 0.01051    |            |       |  0.45
+Pair    | 1.1704     | 1.3643     | 1.5256     |  13.9 | 63.04
+Neigh   | 0.252      | 0.39989    | 0.57798    |  23.0 | 18.48
+Comm    | 0.36005    | 0.38026    | 0.399      |   2.7 | 17.57
+Output  | 0.00026989 | 0.00029516 | 0.00030947 |   0.1 |  0.01
+Modify  | 0.0062692  | 0.0085821  | 0.011907   |   2.6 |  0.40
+Other   |            | 0.01089    |            |       |  0.50

-Nlocal:    1000 ave 1560 max 593 min
+Nlocal:    1000 ave 1546 max 611 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8716.25 ave 9788 max 8009 min
+Nghost:    8720 ave 9802 max 8007 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    150170 ave 164293 max 129469 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs:    150170 ave 167512 max 125941 min
+Histogram: 1 0 0 1 0 0 0 0 0 2

 Total # of neighbors = 600678
 Ave neighs/atom = 150.169
@ -138,7 +138,7 @@ Neighbor list builds = 53
 Dangerous builds = 0
 fix		0 all balance 50 1.0 shift x 5 1.0                 weight neigh 0.5 weight time 0.66 weight store WEIGHT
 run             500
-Memory usage per processor = 3.06519 Mbytes
+Memory usage per processor = 3.04802 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
    1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821    4738.2137 
@ -151,27 +151,27 @@ Step Temp E_pair E_mol TotEng Press Volume
    1400   0.53726924   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
    1450   0.54525935   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
-Loop time of 2.13659 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.17454 on 4 procs for 500 steps with 4000 atoms

-Performance: 101095.806 tau/day, 234.018 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 99331.198 tau/day, 229.933 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.3372     | 1.3773     | 1.4155     |   2.5 | 64.46
-Neigh   | 0.22376    | 0.37791    | 0.57496    |  25.4 | 17.69
-Comm    | 0.20357    | 0.36123    | 0.52777    |  25.5 | 16.91
-Output  | 0.00029254 | 0.00034094 | 0.00039411 |   0.2 |  0.02
-Modify  | 0.0056622  | 0.0082379  | 0.01147    |   2.9 |  0.39
-Other   |            | 0.01156    |            |       |  0.54
+Pair    | 1.1909     | 1.3814     | 1.5474     |  12.7 | 63.53
+Neigh   | 0.24882    | 0.38781    | 0.5563     |  22.6 | 17.83
+Comm    | 0.35985    | 0.38559    | 0.4055     |   3.0 | 17.73
+Output  | 0.00030994 | 0.00033677 | 0.00035214 |   0.1 |  0.02
+Modify  | 0.0060136  | 0.008362   | 0.011491   |   2.6 |  0.38
+Other   |            | 0.01102    |            |       |  0.51

-Nlocal:    1000 ave 1629 max 525 min
+Nlocal:    1000 ave 1555 max 581 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8647.25 ave 9725 max 7935 min
+Nghost:    8695.5 ave 9791 max 8011 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    150494 ave 161009 max 143434 min
-Histogram: 1 1 0 0 1 0 0 0 0 1
+Neighs:    150494 ave 160074 max 132359 min
+Histogram: 1 0 0 0 0 0 1 0 0 2

 Total # of neighbors = 601974
 Ave neighs/atom = 150.494
@ -181,41 +181,40 @@ run             500
 Memory usage per processor = 3.06519 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
-    1550   0.55327017   -6.2750125            0   -5.4453148   -1.9506584    4738.2137 
+    1550   0.55327018   -6.2750125            0   -5.4453148   -1.9506585    4738.2137 
    1600   0.54419003   -6.2612622            0   -5.4451812   -1.8559437    4738.2137 
-    1650   0.54710034   -6.2661978            0   -5.4457525   -1.8882831    4738.2137 
-    1700   0.53665689   -6.2504958            0   -5.4457117   -1.8068004    4738.2137 
-    1750   0.54864706   -6.2681124            0   -5.4453476   -1.8662646    4738.2137 
-    1800   0.54476202   -6.2615083            0   -5.4445696   -1.8352824    4738.2137 
-    1850   0.54142953   -6.2555505            0   -5.4436093   -1.8005654    4738.2137 
-    1900   0.53992431    -6.254135            0    -5.444451   -1.7768688    4738.2137 
-    1950   0.54665954   -6.2640971            0   -5.4443128   -1.7947032    4738.2137 
-    2000   0.54557798   -6.2625416            0   -5.4443793   -1.8072514    4738.2137 
-Loop time of 2.17499 on 4 procs for 500 steps with 4000 atoms
+    1650   0.54710035   -6.2661979            0   -5.4457525   -1.8882833    4738.2137 
+    1700   0.53665692   -6.2504957            0   -5.4457116   -1.8068001    4738.2137 
+    1750   0.54864726   -6.2681127            0   -5.4453476   -1.8662658    4738.2137 
+    1800   0.54476256   -6.2615132            0   -5.4445736   -1.8352921    4738.2137 
+    1850   0.54142913   -6.2555501            0   -5.4436094   -1.8005632    4738.2137 
+    1900   0.53992543   -6.2541365            0   -5.4444509   -1.7768749    4738.2137 
+    1950   0.54666257   -6.2641014            0   -5.4443125   -1.7947215    4738.2137 
+    2000   0.54557432   -6.2625445            0   -5.4443876   -1.8072402    4738.2137 
+Loop time of 2.13804 on 4 procs for 500 steps with 4000 atoms

-Performance: 99310.978 tau/day, 229.887 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 101026.937 tau/day, 233.859 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.3333     | 1.3705     | 1.397      |   2.0 | 63.01
-Neigh   | 0.24071    | 0.41014    | 0.62928    |  26.6 | 18.86
-Comm    | 0.19069    | 0.37486    | 0.53972    |  26.6 | 17.23
-Output  | 0.00031614 | 0.00035483 | 0.00040388 |   0.2 |  0.02
-Modify  | 0.0057304  | 0.0083074  | 0.01159    |   2.8 |  0.38
-Other   |            | 0.01083    |            |       |  0.50
+Pair    | 1.2063     | 1.3671     | 1.4849     |   9.7 | 63.94
+Neigh   | 0.25593    | 0.41674    | 0.59932    |  24.5 | 19.49
+Comm    | 0.25287    | 0.33513    | 0.39698    |   9.9 | 15.67
+Output  | 0.00024056 | 0.00026721 | 0.00028205 |   0.1 |  0.01
+Modify  | 0.0058651  | 0.0082419  | 0.011365   |   2.7 |  0.39
+Other   |            | 0.01061    |            |       |  0.50

-Nlocal:    1000 ave 1628 max 523 min
+Nlocal:    1000 ave 1513 max 612 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8641.5 ave 9769 max 7941 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
-Neighs:    151654 ave 163181 max 145045 min
+Nghost:    8685.25 ave 9861 max 7992 min
 Histogram: 2 0 0 0 1 0 0 0 0 1
+Neighs:    151657 ave 173252 max 122114 min
+Histogram: 1 0 0 0 1 0 0 0 1 1

-Total # of neighbors = 606616
-Ave neighs/atom = 151.654
+Total # of neighbors = 606628
+Ave neighs/atom = 151.657
 Neighbor list builds = 56
 Dangerous builds = 0
-
-Total wall time: 0:00:09
+Total wall time: 0:00:08
--- a/examples/balance/log.27Sep16.balance.clock.static.g++.4
+++ b/examples/balance/log.27Sep16.balance.clock.static.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -42,7 +42,7 @@ Neighbor list info ...
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.000447989 seconds
+  rebalancing time: 0.000463963 seconds
  iteration count = 2
  time weight factor: 1
  initial/final max load/proc = 1200 1200
@ -71,20 +71,20 @@ Step Temp E_pair E_mol TotEng Press
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
-Loop time of 1.42972 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.40211 on 4 procs for 250 steps with 4000 atoms

-Performance: 75539.346 tau/day, 174.860 timesteps/s
+Performance: 77026.670 tau/day, 178.302 timesteps/s
 98.9% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.34009    | 0.65732    | 1.1925     |  42.3 | 45.98
-Neigh   | 0.1324     | 0.17067    | 0.19962    |   6.6 | 11.94
-Comm    | 0.03502    | 0.5933     | 0.88766    |  45.1 | 41.50
-Output  | 0.0001173  | 0.00012749 | 0.00013947 |   0.1 |  0.01
-Modify  | 0.0024164  | 0.0032778  | 0.0040991  |   1.0 |  0.23
-Other   |            | 0.00502    |            |       |  0.35
+Pair    | 0.35738    | 0.65181    | 1.1696     |  41.3 | 46.49
+Neigh   | 0.13196    | 0.17021    | 0.20914    |   7.5 | 12.14
+Comm    | 0.034142   | 0.57176    | 0.88483    |  44.5 | 40.78
+Output  | 0.0001142  | 0.0001266  | 0.00014806 |   0.1 |  0.01
+Modify  | 0.0023732  | 0.0032824  | 0.0044029  |   1.3 |  0.23
+Other   |            | 0.004928   |            |       |  0.35

 Nlocal:    1000 ave 1263 max 712 min
 Histogram: 1 0 0 0 1 0 1 0 0 1
@ -98,16 +98,16 @@ Ave neighs/atom = 149.325
 Neighbor list builds = 23
 Dangerous builds = 0
 balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
-  rebalancing time: 0.000354052 seconds
-  iteration count = 4
+  rebalancing time: 0.000343084 seconds
+  iteration count = 5
  time weight factor: 1
-  initial/final max load/proc = 1673.83 1097.18
-  initial/final imbalance factor = 1.67383 1.09718
-  x cuts: 0 0.296875 0.453125 0.605469 1
+  initial/final max load/proc = 1.35965 0.878579
+  initial/final imbalance factor = 1.65405 1.06882
+  x cuts: 0 0.304688 0.460938 0.634766 1
  y cuts: 0 1
  z cuts: 0 1
 run		250
-Memory usage per processor = 2.7999 Mbytes
+Memory usage per processor = 2.78273 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
@ -115,39 +115,39 @@ Step Temp E_pair E_mol TotEng Press
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
-Loop time of 1.10579 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.06588 on 4 procs for 250 steps with 4000 atoms

-Performance: 97667.971 tau/day, 226.083 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 101324.291 tau/day, 234.547 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.47383    | 0.65917    | 0.86391    |  21.2 | 59.61
-Neigh   | 0.12071    | 0.17144    | 0.23972    |  11.6 | 15.50
-Comm    | 0.10061    | 0.26652    | 0.39924    |  24.8 | 24.10
-Output  | 0.00012779 | 0.00014991 | 0.00018096 |   0.2 |  0.01
-Modify  | 0.0021801  | 0.0032307  | 0.0047314  |   1.8 |  0.29
-Other   |            | 0.005272   |            |       |  0.48
+Pair    | 0.45977    | 0.64931    | 0.82184    |  17.0 | 60.92
+Neigh   | 0.11586    | 0.17099    | 0.23942    |  12.5 | 16.04
+Comm    | 0.10905    | 0.23692    | 0.35707    |  18.4 | 22.23
+Output  | 0.00011897 | 0.00014734 | 0.00017262 |   0.2 |  0.01
+Modify  | 0.0020723  | 0.0032738  | 0.0047829  |   2.0 |  0.31
+Other   |            | 0.005239   |            |       |  0.49

-Nlocal:    1000 ave 1479 max 635 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-Nghost:    8759.5 ave 9918 max 7969 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    149356 ave 195930 max 110209 min
+Nlocal:    1000 ave 1435 max 639 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    8679.75 ave 9430 max 7994 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Neighs:    149356 ave 184268 max 102258 min
+Histogram: 1 0 0 0 1 0 0 0 1 1

 Total # of neighbors = 597424
 Ave neighs/atom = 149.356
 Neighbor list builds = 24
 Dangerous builds = 0
 balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
-  rebalancing time: 0.000221968 seconds
+  rebalancing time: 0.000194073 seconds
  iteration count = 4
  time weight factor: 1
-  initial/final max load/proc = 1200.06 1176.79
-  initial/final imbalance factor = 1.20006 1.17679
-  x cuts: 0 0.306641 0.443359 0.595947 1
+  initial/final max load/proc = 0.948736 0.898491
+  initial/final imbalance factor = 1.15657 1.09532
+  x cuts: 0 0.314453 0.451172 0.602173 1
  y cuts: 0 1
  z cuts: 0 1
 run 		250
@ -159,27 +159,27 @@ Step Temp E_pair E_mol TotEng Press
     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
-Loop time of 1.10659 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.02789 on 4 procs for 250 steps with 4000 atoms

-Performance: 97597.325 tau/day, 225.920 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 105069.856 tau/day, 243.217 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.59596    | 0.67205    | 0.81576    |  10.9 | 60.73
-Neigh   | 0.098      | 0.18193    | 0.2707     |  16.7 | 16.44
-Comm    | 0.15524    | 0.24375    | 0.40352    |  19.4 | 22.03
-Output  | 0.00013709 | 0.00017041 | 0.00020695 |   0.2 |  0.02
-Modify  | 0.0016487  | 0.0032793  | 0.0050011  |   2.4 |  0.30
-Other   |            | 0.005414   |            |       |  0.49
+Pair    | 0.51012    | 0.64726    | 0.75553    |  11.2 | 62.97
+Neigh   | 0.10374    | 0.17664    | 0.25597    |  15.7 | 17.19
+Comm    | 0.10147    | 0.19583    | 0.28425    |  16.9 | 19.05
+Output  | 0.00011802 | 0.000139   | 0.00015593 |   0.1 |  0.01
+Modify  | 0.0017936  | 0.0032012  | 0.0047436  |   2.3 |  0.31
+Other   |            | 0.004817   |            |       |  0.47

-Nlocal:    1000 ave 1580 max 493 min
+Nlocal:    1000 ave 1518 max 524 min
 Histogram: 1 1 0 0 0 0 0 1 0 1
-Nghost:    8736.5 ave 9808 max 8009 min
+Nghost:    8714.5 ave 9870 max 7980 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    149124 ave 178715 max 132100 min
-Histogram: 2 0 0 1 0 0 0 0 0 1
+Neighs:    149124 ave 173877 max 119242 min
+Histogram: 1 0 0 1 0 0 0 1 0 1

 Total # of neighbors = 596497
 Ave neighs/atom = 149.124
--- a/examples/balance/log.5Oct16.balance.g++.4
+++ b/examples/balance/log.5Oct16.balance.g++.4
@ -0,0 +1,202 @@
+LAMMPS (5 Oct 2016)
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	atomic
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom c_1%10
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  1 neighbor list requests
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4 -> bins = 42 29 1
+Memory usage per processor = 2.48839 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
+     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
+     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
+     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
+     400    26.522239   -29.965537    6.6787858    1.1855956    1.0083102 
+     500    25.725591   -29.168034   0.67065285    1.2520776    1.0083102 
+     600    26.247693   -29.692706    7.9887712    1.3074792    1.0083102 
+     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
+     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
+     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
+    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
+    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
+    1200    17.214458   -20.726965    6.3578918    1.0304709    1.0193906 
+    1300     16.42404   -19.757268    3.9028429    1.1191136    1.0083102 
+    1400    15.012286   -18.095045    1.7699868    1.0858726    1.0193906 
+    1500    13.853156   -16.929243    1.0730365    1.0858726    1.0193906 
+    1600    13.655251   -16.659753    2.1723498    1.0747922    1.0083102 
+    1700    12.675328   -15.550697    1.8710911    1.0415512    1.0193906 
+    1800    12.657349   -15.825827    1.9350712    1.0193906    1.0193906 
+    1900    12.857141      -15.773    1.7624119    1.0193906    1.0304709 
+    2000    11.856547   -14.727128    1.7186493    1.1080332    1.0083102 
+    2100    12.113322   -14.953592    1.4400251    1.0415512    1.0193906 
+    2200    11.545208   -14.363826    1.1597272    1.0969529    1.0083102 
+    2300    11.433966   -14.302533    1.5537689    1.0969529    1.0083102 
+    2400    11.577739   -14.385288    1.3175128    1.0526316    1.0193906 
+    2500    11.308903   -14.130976       1.0372    1.0304709    1.0193906 
+    2600     11.03881   -13.846505     1.498497    1.0304709    1.0083102 
+    2700     10.70089   -13.790867    1.4450907    1.0637119    1.0083102 
+    2800    10.805792   -13.563219    1.2192081    1.0415512    1.0083102 
+    2900    10.421157   -13.168851     1.402862    1.0304709    1.0083102 
+    3000    10.400588   -13.097548    1.0337744    1.0526316    1.0083102 
+    3100    10.358923   -13.069844   0.90449608    1.0637119    1.0304709 
+    3200    10.006549   -12.712754    1.2690601    1.0415512    1.0083102 
+    3300    9.6601046   -12.398878    0.9892202    1.0193906    1.0083102 
+    3400    9.8691691   -12.644347    1.0763164    1.0526316    1.0193906 
+    3500    9.4257858   -12.095325    1.3422009    1.0747922    1.0193906 
+    3600    9.8117461   -12.559789    1.0175443    1.0415512    1.0083102 
+    3700    9.1821286   -11.849911    1.4515013    1.0415512    1.0083102 
+    3800    9.3099882   -12.081373   0.90072272    1.0193906    1.0193906 
+    3900     9.478143   -12.141401    1.0850242    1.0193906    1.0083102 
+    4000    9.2104886   -11.866265   0.69822096    1.0304709    1.0083102 
+    4100    8.8886161    -11.56296   0.89116764    1.0083102    1.0083102 
+    4200    8.7477884   -11.435867     1.155131    1.0415512    1.0083102 
+    4300    8.8404671   -11.475073   0.73376033    1.0193906    1.0083102 
+    4400    9.0720052   -11.722172    1.1153459    1.0193906    1.0193906 
+    4500    8.4943391    -11.10353   0.98158121    1.0304709    1.0193906 
+    4600    8.6208392    -11.25783   0.52722218    1.0304709    1.0304709 
+    4700     8.355727   -10.974506    0.9215792    1.0526316    1.0083102 
+    4800    7.9464294   -10.531082   0.96217105    1.0193906    1.0193906 
+    4900    8.1538037    -10.74077   0.93322839    1.0526316    1.0083102 
+    5000    8.0560766   -10.668117   0.89914093    1.0083102    1.0083102 
+    5100    7.8109289   -10.391977   0.89999269    1.0637119    1.0083102 
+    5200    7.5452618   -10.199853   0.85038647    1.0415512    1.0083102 
+    5300    7.5551774   -10.134568   0.48669864    1.0193906    1.0193906 
+    5400    7.5427574   -10.109261   0.51382249    1.0304709    1.0083102 
+    5500    7.3322385   -9.8794018   0.39341727    1.0304709    1.0193906 
+    5600    7.1576966   -9.7228317   0.49695339    1.0637119    1.0193906 
+    5700    6.9753083   -9.5665538   0.63845281    1.0637119    1.0193906 
+    5800    7.2002518   -9.7545436    0.8869362    1.0304709    1.0083102 
+    5900    6.7877615   -9.4201982     1.150461    1.0415512    1.0083102 
+    6000    7.2316113   -9.7609318   0.56956179    1.0083102    1.0083102 
+    6100    6.8517997   -9.3662525   0.69127091    1.0083102    1.0193906 
+    6200    6.7332571   -9.2601934   0.64092541    1.0747922    1.0193906 
+    6300    7.2653962    -9.812989    1.0089331    1.0415512    1.0193906 
+    6400    6.9924469   -9.5198187   0.50623927    1.0193906    1.0083102 
+    6500    6.7976268   -9.3171977   0.37708413    1.0304709    1.0193906 
+    6600    7.1400261   -9.6453688   0.51672188    1.0415512    1.0193906 
+    6700    7.0874791   -9.6159675   0.23431446    1.0193906    1.0083102 
+    6800    7.0934248   -9.6288017   0.73112796    1.0083102    1.0193906 
+    6900    7.0402806   -9.6881643   0.65441466    1.0193906    1.0193906 
+    7000    6.6077988   -9.1981347   0.81515889    1.0193906    1.0083102 
+    7100    6.6804693   -9.1892523   0.46231433    1.0193906    1.0083102 
+    7200    6.7050761   -9.2536735   0.68422675    1.0083102    1.0083102 
+    7300    6.6980524   -9.2116982   0.77722939    1.0083102    1.0193906 
+    7400    6.9237141   -9.4504319   0.50584321    1.0083102    1.0193906 
+    7500    6.7457236   -9.2517367   0.41774845    1.0193906    1.0083102 
+    7600     6.140572   -8.6271314   0.47012282    1.0193906    1.0193906 
+    7700    6.3154289   -8.8060017   0.30256453    1.0193906    1.0083102 
+    7800    6.4817555   -9.0034539   0.48964815    1.0193906    1.0193906 
+    7900    6.5509105    -9.046808   0.26620539    1.0304709    1.0083102 
+    8000    6.1907919   -8.7009493   0.36431296    1.0193906    1.0083102 
+    8100    6.6773106   -9.1825184   0.63034715    1.0193906    1.0083102 
+    8200    6.3651832    -8.865283   0.41221098    1.0193906    1.0193906 
+    8300    6.5319342   -9.0474918   0.50861431    1.0193906    1.0193906 
+    8400    6.0026097   -8.4829924   0.61261898    1.0304709    1.0193906 
+    8500     6.264053   -8.7484184   0.22150916    1.0193906    1.0193906 
+    8600    6.4822013   -8.9786803   0.79519176    1.0415512    1.0083102 
+    8700    6.1133663   -8.5901382   0.66131133    1.0193906    1.0193906 
+    8800    5.7750595   -8.2366077   0.54475083    1.0415512    1.0193906 
+    8900    5.7948059   -8.2720683   0.66374336    1.0083102    1.0083102 
+    9000    6.0180401   -8.4602116   0.35964058    1.0193906    1.0083102 
+    9100    5.6468037   -8.1226322   0.33562506    1.0083102    1.0083102 
+    9200    6.0286609   -8.4948458   0.81948932    1.0083102    1.0083102 
+    9300    5.3272121   -7.7564142   0.59727196    1.0193906    1.0083102 
+    9400    5.3686107   -7.8108198   0.49158335    1.0193906    1.0083102 
+    9500    5.5578127   -7.9767984   0.54325782    1.0083102    1.0083102 
+    9600    5.3535292   -7.7952435   0.51871219    1.0083102    1.0083102 
+    9700    5.2229146   -7.6572219   0.82526944    1.0193906    1.0193906 
+    9800    5.5316834   -7.9694409  -0.06268606    1.0193906    1.0083102 
+    9900    5.3195142   -7.7834343   0.98223661    1.0083102    1.0083102 
+   10000    5.4133458   -7.8543365   0.23338829    1.0304709    1.0083102 
+Loop time of 0.41562 on 4 procs for 10000 steps with 361 atoms
+
+Performance: 10394107.789 tau/day, 24060.435 timesteps/s
+98.5% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.061998   | 0.074455   | 0.095533   |   4.7 | 17.91
+Neigh   | 0.065831   | 0.070617   | 0.081226   |   2.4 | 16.99
+Comm    | 0.11365    | 0.14064    | 0.16052    |   5.3 | 33.84
+Output  | 0.0021498  | 0.0023028  | 0.0026829  |   0.5 |  0.55
+Modify  | 0.040329   | 0.04214    | 0.043329   |   0.5 | 10.14
+Other   |            | 0.08546    |            |       | 20.56
+
+Nlocal:    90.25 ave 91 max 90 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    22 ave 25 max 18 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+Neighs:    252.75 ave 342 max 132 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 1011
+Ave neighs/atom = 2.80055
+Neighbor list builds = 3495
+Dangerous builds = 0
+Total wall time: 0:00:00
--- a/examples/balance/log.27Sep16.balance.group.dynamic.g++.4
+++ b/examples/balance/log.27Sep16.balance.group.dynamic.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -43,7 +43,7 @@ Neighbor list info ...
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.000452042 seconds
+  rebalancing time: 0.000472069 seconds
  iteration count = 2
  group weights: fast=1 slow=1
  initial/final max load/proc = 1200 1200
@ -74,20 +74,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
-Loop time of 1.48606 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.40299 on 4 procs for 250 steps with 4000 atoms

-Performance: 72675.623 tau/day, 168.231 timesteps/s
+Performance: 76978.657 tau/day, 178.191 timesteps/s
 99.0% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.23243    | 0.67       | 1.2235     |  47.4 | 45.09
-Neigh   | 0.17043    | 0.18781    | 0.21572    |   4.1 | 12.64
-Comm    | 0.036635   | 0.61802    | 1.0727     |  51.6 | 41.59
-Output  | 0.00011992 | 0.00013161 | 0.00015426 |   0.1 |  0.01
-Modify  | 0.005506   | 0.0055596  | 0.0056329  |   0.1 |  0.37
-Other   |            | 0.004531   |            |       |  0.30
+Pair    | 0.22572    | 0.65681    | 1.1571     |  45.2 | 46.82
+Neigh   | 0.16769    | 0.18555    | 0.20139    |   3.0 | 13.23
+Comm    | 0.033973   | 0.55042    | 0.99983    |  51.1 | 39.23
+Output  | 0.00012207 | 0.00013012 | 0.00014353 |   0.1 |  0.01
+Modify  | 0.0053966  | 0.0054266  | 0.0054569  |   0.0 |  0.39
+Other   |            | 0.004645   |            |       |  0.33

 Nlocal:    1000 ave 1001 max 999 min
 Histogram: 1 0 0 0 0 2 0 0 0 1
--- a/examples/balance/log.27Sep16.balance.group.static.g++.4
+++ b/examples/balance/log.27Sep16.balance.group.static.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -38,7 +38,7 @@ Neighbor list info ...
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.000433922 seconds
+  rebalancing time: 0.00113606 seconds
  iteration count = 2
  initial/final max load/proc = 1200 1200
  initial/final imbalance factor = 1.2 1.2
@ -47,7 +47,7 @@ Neighbor list info ...
  z cuts: 0 1

 balance		1.0 x uniform
-  rebalancing time: 0.000152826 seconds
+  rebalancing time: 0.00050211 seconds
  iteration count = 0
  initial/final max load/proc = 1200 1200
  initial/final imbalance factor = 1.2 1.2
@ -57,7 +57,7 @@ balance		1.0 x uniform

 variable        weight atom (type==1)*1.0+(type==2)*v_factor
 balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
-  rebalancing time: 0.000287056 seconds
+  rebalancing time: 0.000926018 seconds
  iteration count = 2
  weight variable: weight
  initial/final max load/proc = 1200 1200
@ -67,7 +67,7 @@ balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
  z cuts: 0 1

 balance		1.0 x uniform
-  rebalancing time: 0.00011611 seconds
+  rebalancing time: 0.000455856 seconds
  iteration count = 0
  initial/final max load/proc = 1200 1200
  initial/final imbalance factor = 1.2 1.2
@ -81,7 +81,7 @@ group		slow type 2
 1400 atoms in group slow
 balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted_group.txt
 balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
-  rebalancing time: 0.000248909 seconds
+  rebalancing time: 0.00071907 seconds
  iteration count = 2
  group weights: fast=1 slow=1
  initial/final max load/proc = 1200 1200
@ -110,20 +110,20 @@ Step Temp E_pair E_mol TotEng Press
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
-Loop time of 1.41033 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.42478 on 4 procs for 250 steps with 4000 atoms

-Performance: 76577.913 tau/day, 177.264 timesteps/s
-98.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 75800.979 tau/day, 175.465 timesteps/s
+99.2% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.33785    | 0.6592     | 1.1713     |  41.7 | 46.74
-Neigh   | 0.14133    | 0.17129    | 0.19681    |   5.6 | 12.15
-Comm    | 0.039078   | 0.57085    | 0.87566    |  45.3 | 40.48
-Output  | 0.00022721 | 0.00024492 | 0.00026417 |   0.1 |  0.02
-Modify  | 0.0025113  | 0.0033261  | 0.0040808  |   1.0 |  0.24
-Other   |            | 0.005427   |            |       |  0.38
+Pair    | 0.35155    | 0.65282    | 1.1868     |  42.1 | 45.82
+Neigh   | 0.12951    | 0.16927    | 0.20492    |   7.4 | 11.88
+Comm    | 0.03706    | 0.59419    | 0.90483    |  44.8 | 41.70
+Output  | 0.00011921 | 0.00013947 | 0.00015664 |   0.1 |  0.01
+Modify  | 0.0023413  | 0.0032853  | 0.0043154  |   1.2 |  0.23
+Other   |            | 0.005085   |            |       |  0.36

 Nlocal:    1000 ave 1263 max 712 min
 Histogram: 1 0 0 0 1 0 1 0 0 1
--- a/examples/balance/log.27Sep16.balance.kspace.g++.4
+++ b/examples/balance/log.27Sep16.balance.kspace.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -75,36 +75,36 @@ Step Temp E_pair E_mol TotEng Press Volume
     150    13.992056    47.731988            0    68.714825    140.56926    4738.2137 
     200    11.617635    52.509395            0    69.931491     142.6933    4738.2137 
     250    13.536262    48.330072            0    68.629389    133.91619    4738.2137 
-     300    12.619724    50.326376            0     69.25123    132.46494    4738.2137 
-     350    14.513005    50.110693            0    71.874758    143.39284    4738.2137 
-     400    12.429702    49.690909            0      68.3308     130.0808    4738.2137 
-     450    13.928225    50.969523            0    71.856637    144.44675    4738.2137 
-     500    13.286368    50.355522            0    70.280091     137.2389    4738.2137 
-Loop time of 4.79482 on 4 procs for 500 steps with 4000 atoms
+     300    12.619739     50.32635            0    69.251226    132.46483    4738.2137 
+     350    14.513905    50.104058            0    71.869473    143.37708    4738.2137 
+     400    12.410226    49.786147            0    68.396832    130.38693    4738.2137 
+     450    13.812498    51.076195            0    71.789763     144.8252    4738.2137 
+     500    13.278792    50.270368            0    70.183575     136.8547    4738.2137 
+Loop time of 5.24456 on 4 procs for 500 steps with 4000 atoms

-Performance: 45048.596 tau/day, 104.279 timesteps/s
-99.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 41185.531 tau/day, 95.337 timesteps/s
+98.8% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.85927    | 1.571      | 2.2092     |  51.0 | 32.76
-Kspace  | 0.61247    | 1.982      | 3.2697     |  85.3 | 41.34
-Neigh   | 0.2976     | 0.98099    | 1.8525     |  68.1 | 20.46
-Comm    | 0.090759   | 0.23335    | 0.34356    |  22.4 |  4.87
-Output  | 0.00027442 | 0.00034857 | 0.0004065  |   0.3 |  0.01
-Modify  | 0.013081   | 0.016089   | 0.0201     |   2.3 |  0.34
-Other   |            | 0.01104    |            |       |  0.23
+Pair    | 0.64469    | 1.5898     | 2.5249     |  68.8 | 30.31
+Kspace  | 0.63052    | 2.3872     | 3.9848     |  97.6 | 45.52
+Neigh   | 0.2153     | 0.986      | 1.9625     |  76.8 | 18.80
+Comm    | 0.094079   | 0.25333    | 0.3749     |  23.9 |  4.83
+Output  | 0.0002811  | 0.00035048 | 0.00040078 |   0.3 |  0.01
+Modify  | 0.013268   | 0.016651   | 0.021077   |   2.6 |  0.32
+Other   |            | 0.01122    |            |       |  0.21

-Nlocal:    1000 ave 1853 max 359 min
+Nlocal:    1000 ave 2010 max 228 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    7773.5 ave 9196 max 6355 min
+Nghost:    7559.75 ave 9255 max 5915 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
-Neighs:    127368 ave 180948 max 71698 min
+Neighs:    127415 ave 215720 max 45292 min
 Histogram: 2 0 0 0 0 0 0 0 0 2

-Total # of neighbors = 509471
-Ave neighs/atom = 127.368
+Total # of neighbors = 509660
+Ave neighs/atom = 127.415
 Neighbor list builds = 124
 Dangerous builds = 97
-Total wall time: 0:00:04
+Total wall time: 0:00:05
--- a/examples/balance/log.27Sep16.balance.neigh.dynamic.g++.4
+++ b/examples/balance/log.27Sep16.balance.neigh.dynamic.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -57,7 +57,7 @@ Neighbor list info ...
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
-WARNING: No suitable neighbor list found. Neighbor weighted balancing skipped (../imbalance_neigh.cpp:65)
+WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
 Memory usage per processor = 3.0442 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
@ -71,26 +71,26 @@ Step Temp E_pair E_mol TotEng Press Volume
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
-Loop time of 2.27598 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.30888 on 4 procs for 500 steps with 4000 atoms

-Performance: 94904.173 tau/day, 219.686 timesteps/s
+Performance: 93551.974 tau/day, 216.555 timesteps/s
 99.4% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1158     | 1.4132     | 1.6545     |  19.0 | 62.09
-Neigh   | 0.25541    | 0.38197    | 0.55281    |  20.3 | 16.78
-Comm    | 0.33626    | 0.46086    | 0.58471    |  14.7 | 20.25
-Output  | 0.00030327 | 0.00033396 | 0.0003922  |   0.2 |  0.01
-Modify  | 0.0061643  | 0.0082641  | 0.011169   |   2.4 |  0.36
-Other   |            | 0.01137    |            |       |  0.50
+Pair    | 1.0928     | 1.4128     | 1.6873     |  21.3 | 61.19
+Neigh   | 0.26037    | 0.38342    | 0.55053    |  20.2 | 16.61
+Comm    | 0.33912    | 0.49342    | 0.644      |  18.3 | 21.37
+Output  | 0.00029206 | 0.00033247 | 0.00037789 |   0.2 |  0.01
+Modify  | 0.0062437  | 0.0082552  | 0.010971   |   2.2 |  0.36
+Other   |            | 0.01067    |            |       |  0.46

-Nlocal:    1000 ave 1551 max 604 min
+Nlocal:    1000 ave 1549 max 605 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8754.75 ave 9849 max 8074 min
+Nghost:    8755 ave 9851 max 8071 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    149308 ave 163995 max 129030 min
+Neighs:    149308 ave 164554 max 128538 min
 Histogram: 1 0 0 1 0 0 0 0 0 2

 Total # of neighbors = 597231
@ -111,26 +111,26 @@ Step Temp E_pair E_mol TotEng Press Volume
     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
-Loop time of 2.14853 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.16949 on 4 procs for 500 steps with 4000 atoms

-Performance: 100533.652 tau/day, 232.717 timesteps/s
+Performance: 99562.401 tau/day, 230.469 timesteps/s
 99.5% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1688     | 1.3591     | 1.5126     |  13.1 | 63.26
-Neigh   | 0.24981    | 0.38774    | 0.57835    |  22.5 | 18.05
-Comm    | 0.36101    | 0.38157    | 0.41179    |   3.0 | 17.76
-Output  | 0.00031686 | 0.00034499 | 0.00040627 |   0.2 |  0.02
-Modify  | 0.0059092  | 0.0082516  | 0.011432   |   2.6 |  0.38
-Other   |            | 0.01149    |            |       |  0.53
+Pair    | 1.1466     | 1.3644     | 1.5476     |  15.2 | 62.89
+Neigh   | 0.25492    | 0.38744    | 0.57253    |  22.1 | 17.86
+Comm    | 0.34836    | 0.39805    | 0.45037    |   6.7 | 18.35
+Output  | 0.00028539 | 0.00031531 | 0.00037646 |   0.2 |  0.01
+Modify  | 0.0060055  | 0.008239   | 0.011282   |   2.5 |  0.38
+Other   |            | 0.01107    |            |       |  0.51

-Nlocal:    1000 ave 1559 max 601 min
+Nlocal:    1000 ave 1569 max 595 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8717.25 ave 9789 max 8011 min
+Nghost:    8715.25 ave 9779 max 8018 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    150170 ave 165071 max 129263 min
+Neighs:    150170 ave 163282 max 132114 min
 Histogram: 1 0 0 1 0 0 0 0 0 2

 Total # of neighbors = 600678
@ -148,29 +148,29 @@ Step Temp E_pair E_mol TotEng Press Volume
    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797    4738.2137 
    1300   0.54134321   -6.2590728            0    -5.447261   -1.9170271    4738.2137 
    1350   0.53564389   -6.2501521            0   -5.4468871   -1.8642306    4738.2137 
-    1400   0.53726925   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
+    1400   0.53726924   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
    1450   0.54525935   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
-    1500   0.54223342   -6.2591056            0   -5.4459588    -1.886698    4738.2137 
-Loop time of 2.13806 on 4 procs for 500 steps with 4000 atoms
+    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
+Loop time of 2.17283 on 4 procs for 500 steps with 4000 atoms

-Performance: 101026.160 tau/day, 233.857 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 99409.423 tau/day, 230.114 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1911     | 1.3674     | 1.5133     |  12.4 | 63.95
-Neigh   | 0.2394     | 0.37334    | 0.55622    |  22.2 | 17.46
-Comm    | 0.36084    | 0.37761    | 0.409      |   3.0 | 17.66
-Output  | 0.00030899 | 0.00033534 | 0.00039768 |   0.2 |  0.02
-Modify  | 0.0060141  | 0.0083458  | 0.011389   |   2.6 |  0.39
-Other   |            | 0.01105    |            |       |  0.52
+Pair    | 1.1581     | 1.3768     | 1.574      |  15.8 | 63.37
+Neigh   | 0.24753    | 0.3727     | 0.54533    |  21.2 | 17.15
+Comm    | 0.33306    | 0.40373    | 0.47481    |   9.3 | 18.58
+Output  | 0.00036979 | 0.0003832  | 0.00039721 |   0.0 |  0.02
+Modify  | 0.0059896  | 0.0082257  | 0.011168   |   2.5 |  0.38
+Other   |            | 0.01095    |            |       |  0.50

-Nlocal:    1000 ave 1545 max 604 min
+Nlocal:    1000 ave 1543 max 605 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8704 ave 9801 max 7983 min
+Nghost:    8704.5 ave 9803 max 7983 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    150494 ave 165851 max 129789 min
+Neighs:    150494 ave 166334 max 129306 min
 Histogram: 1 0 0 1 0 0 0 0 0 2

 Total # of neighbors = 601974
@ -180,41 +180,41 @@ Dangerous builds = 0
 run             500
 Memory usage per processor = 3.06519 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
-    1500   0.54223342   -6.2591056            0   -5.4459588    -1.886698    4738.2137 
-    1550   0.55327017   -6.2750125            0   -5.4453147   -1.9506581    4738.2137 
-    1600   0.54419032   -6.2612626            0   -5.4451812   -1.8559458    4738.2137 
-    1650   0.54710059   -6.2661984            0   -5.4457527   -1.8882842    4738.2137 
-    1700   0.53665689   -6.2504959            0   -5.4457118   -1.8067985    4738.2137 
-    1750   0.54864916   -6.2681196            0   -5.4453516   -1.8662894    4738.2137 
-    1800   0.54476391   -6.2615108            0   -5.4445692   -1.8352746    4738.2137 
-    1850   0.54142945   -6.2555553            0   -5.4436142   -1.8005732    4738.2137 
-    1900   0.53992253   -6.2541407            0   -5.4444594   -1.7768992    4738.2137 
-    1950   0.54663678   -6.2640967            0   -5.4443465   -1.7945736    4738.2137 
-    2000   0.54563235   -6.2626431            0   -5.4443992    -1.807693    4738.2137 
-Loop time of 2.18212 on 4 procs for 500 steps with 4000 atoms
+    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
+    1550   0.55327018   -6.2750126            0   -5.4453148   -1.9506585    4738.2137 
+    1600   0.54419004   -6.2612622            0   -5.4451812   -1.8559437    4738.2137 
+    1650   0.54710034   -6.2661938            0   -5.4457484   -1.8882763    4738.2137 
+    1700   0.53665691   -6.2504958            0   -5.4457117   -1.8068009    4738.2137 
+    1750    0.5486471   -6.2681127            0   -5.4453478   -1.8662656    4738.2137 
+    1800   0.54476222   -6.2615086            0   -5.4445695   -1.8352838    4738.2137 
+    1850   0.54143048   -6.2555517            0    -5.443609   -1.8005726    4738.2137 
+    1900   0.53992511    -6.254136            0   -5.4444508   -1.7768715    4738.2137 
+    1950   0.54665895   -6.2640958            0   -5.4443124   -1.7946993    4738.2137 
+    2000    0.5455751   -6.2625337            0   -5.4443756   -1.8072242    4738.2137 
+Loop time of 2.20474 on 4 procs for 500 steps with 4000 atoms

-Performance: 98986.300 tau/day, 229.135 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 97970.946 tau/day, 226.785 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1776     | 1.3712     | 1.5256     |  13.4 | 62.84
-Neigh   | 0.26314    | 0.4065     | 0.59956    |  22.6 | 18.63
-Comm    | 0.36859    | 0.3845     | 0.41286    |   2.7 | 17.62
-Output  | 0.00031281 | 0.00033575 | 0.00039792 |   0.2 |  0.02
-Modify  | 0.0058827  | 0.0082896  | 0.011639   |   2.7 |  0.38
-Other   |            | 0.01133    |            |       |  0.52
+Pair    | 1.1731     | 1.3783     | 1.5498     |  14.7 | 62.51
+Neigh   | 0.26429    | 0.40654    | 0.59777    |  22.6 | 18.44
+Comm    | 0.36731    | 0.40043    | 0.44935    |   5.2 | 18.16
+Output  | 0.00030565 | 0.00033122 | 0.00039625 |   0.2 |  0.02
+Modify  | 0.0059974  | 0.008266   | 0.01132    |   2.6 |  0.37
+Other   |            | 0.01088    |            |       |  0.49

-Nlocal:    1000 ave 1544 max 605 min
+Nlocal:    1000 ave 1539 max 607 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8676.25 ave 9831 max 7985 min
+Nghost:    8677 ave 9837 max 7981 min
 Histogram: 2 0 0 0 1 0 0 0 0 1
-Neighs:    151653 ave 166956 max 130753 min
+Neighs:    151655 ave 168263 max 129443 min
 Histogram: 1 0 0 1 0 0 0 0 0 2

-Total # of neighbors = 606611
-Ave neighs/atom = 151.653
+Total # of neighbors = 606619
+Ave neighs/atom = 151.655
 Neighbor list builds = 56
 Dangerous builds = 0

--- a/examples/balance/log.27Sep16.balance.neigh.rcb.g++.4
+++ b/examples/balance/log.27Sep16.balance.neigh.rcb.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -60,7 +60,7 @@ Neighbor list info ...
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
-WARNING: No suitable neighbor list found. Neighbor weighted balancing skipped (../imbalance_neigh.cpp:65)
+WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
 Memory usage per processor = 2.90262 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
@ -69,34 +69,34 @@ Step Temp E_pair E_mol TotEng Press Volume
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
-Loop time of 0.943947 on 4 procs for 250 steps with 4000 atoms
+Loop time of 0.956315 on 4 procs for 250 steps with 4000 atoms

-Performance: 114413.252 tau/day, 264.845 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 112933.523 tau/day, 261.420 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.64601    | 0.66027    | 0.67403    |   1.2 | 69.95
-Neigh   | 0.18111    | 0.18828    | 0.1953     |   1.2 | 19.95
-Comm    | 0.072217   | 0.084395   | 0.096822   |   3.4 |  8.94
-Output  | 0.00016904 | 0.00018668 | 0.00020409 |   0.1 |  0.02
-Modify  | 0.005301   | 0.0055165  | 0.0056343  |   0.2 |  0.58
-Other   |            | 0.005294   |            |       |  0.56
+Pair    | 0.5859     | 0.6311     | 0.66986    |   4.1 | 65.99
+Neigh   | 0.16996    | 0.18014    | 0.19678    |   2.4 | 18.84
+Comm    | 0.078254   | 0.13416    | 0.18229    |  10.9 | 14.03
+Output  | 0.00025582 | 0.0002594  | 0.00026608 |   0.0 |  0.03
+Modify  | 0.0051248  | 0.0054137  | 0.0057077  |   0.3 |  0.57
+Other   |            | 0.005242   |            |       |  0.55

-Nlocal:    1000 ave 1004 max 996 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-Nghost:    7674 ave 7678 max 7668 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Neighs:    149349 ave 150214 max 148735 min
-Histogram: 1 0 1 0 1 0 0 0 0 1
+Nlocal:    1000 ave 1103 max 932 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Nghost:    7617 ave 7871 max 7360 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    149349 ave 169737 max 137211 min
+Histogram: 2 0 0 0 1 0 0 0 0 1

 Total # of neighbors = 597396
 Ave neighs/atom = 149.349
 Neighbor list builds = 25
 Dangerous builds = 0
 run             250
-Memory usage per processor = 2.9031 Mbytes
+Memory usage per processor = 2.90266 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
@ -104,27 +104,27 @@ Step Temp E_pair E_mol TotEng Press Volume
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
-Loop time of 0.886707 on 4 procs for 250 steps with 4000 atoms
+Loop time of 0.97826 on 4 procs for 250 steps with 4000 atoms

-Performance: 121798.994 tau/day, 281.942 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 110400.094 tau/day, 255.556 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.6277     | 0.63292    | 0.64433    |   0.8 | 71.38
-Neigh   | 0.1778     | 0.17937    | 0.18309    |   0.5 | 20.23
-Comm    | 0.05461    | 0.06445    | 0.070518   |   2.3 |  7.27
-Output  | 0.00015926 | 0.00017142 | 0.00018311 |   0.1 |  0.02
-Modify  | 0.0050013  | 0.0050754  | 0.0051844  |   0.1 |  0.57
-Other   |            | 0.004719   |            |       |  0.53
+Pair    | 0.62013    | 0.63258    | 0.63864    |   0.9 | 64.66
+Neigh   | 0.17712    | 0.18068    | 0.18788    |   1.0 | 18.47
+Comm    | 0.14206    | 0.15504    | 0.17108    |   2.7 | 15.85
+Output  | 0.00014997 | 0.00018102 | 0.000247   |   0.3 |  0.02
+Modify  | 0.0047612  | 0.0049355  | 0.0050402  |   0.1 |  0.50
+Other   |            | 0.004845   |            |       |  0.50

-Nlocal:    1000 ave 1008 max 990 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-Nghost:    7665.5 ave 7675 max 7650 min
-Histogram: 1 0 0 0 0 1 0 0 0 2
-Neighs:    149308 ave 149883 max 148467 min
+Nlocal:    1000 ave 1003 max 997 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    7662.75 ave 7668 max 7656 min
 Histogram: 1 0 0 0 1 0 0 0 1 1
+Neighs:    149308 ave 151009 max 146887 min
+Histogram: 1 0 0 1 0 0 0 0 0 2

 Total # of neighbors = 597231
 Ave neighs/atom = 149.308
--- a/examples/balance/log.27Sep16.balance.neigh.static.g++.4
+++ b/examples/balance/log.27Sep16.balance.neigh.static.g++.4
@ -1,4 +1,4 @@
-LAMMPS (26 Sep 2016)
+LAMMPS (5 Oct 2016)
 # 3d Lennard-Jones melt

 units		lj
@ -38,8 +38,8 @@ Neighbor list info ...
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
-WARNING: No suitable neighbor list found. Neighbor weighted balancing skipped (../imbalance_neigh.cpp:65)
-  rebalancing time: 0.00040102 seconds
+WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
+  rebalancing time: 0.00039506 seconds
  iteration count = 3
  neigh weight factor: 0.8
  initial/final max load/proc = 1200 1000
@ -68,20 +68,20 @@ Step Temp E_pair E_mol TotEng Press
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
-Loop time of 1.42566 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.41104 on 4 procs for 250 steps with 4000 atoms

-99.0% CPU use with 4 MPI tasks x no OpenMP threads
+98.7% CPU use with 4 MPI tasks x no OpenMP threads
 balance		1.0 shift x 10 1.0 weight neigh 0.8
-  rebalancing time: 0.000426054 seconds
+  rebalancing time: 0.000409126 seconds
  iteration count = 10
  neigh weight factor: 0.8
-  initial/final max load/proc = 1687.06 1002.87
-  initial/final imbalance factor = 1.68662 1.0026
-  x cuts: 0 0.306885 0.452881 0.599335 1
+  initial/final max load/proc = 220132 125739
+  initial/final imbalance factor = 1.75833 1.00436
+  x cuts: 0 0.304443 0.450928 0.626678 1
  y cuts: 0 1
  z cuts: 0 1
 run             250 post no
-Memory usage per processor = 2.7999 Mbytes
+Memory usage per processor = 2.78273 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
@ -89,16 +89,16 @@ Step Temp E_pair E_mol TotEng Press
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
-Loop time of 1.02512 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.06236 on 4 procs for 250 steps with 4000 atoms

 99.4% CPU use with 4 MPI tasks x no OpenMP threads
 balance		1.0 shift x 10 1.0 weight neigh 0.8
-  rebalancing time: 0.000252008 seconds
+  rebalancing time: 0.000265121 seconds
  iteration count = 10
  neigh weight factor: 0.8
-  initial/final max load/proc = 1054.41 1008.56
-  initial/final imbalance factor = 1.05567 1.00976
-  x cuts: 0 0.303588 0.449887 0.597189 1
+  initial/final max load/proc = 147109 128929
+  initial/final imbalance factor = 1.14487 1.00338
+  x cuts: 0 0.304873 0.449926 0.59527 1
  y cuts: 0 1
  z cuts: 0 1
 run             250 post no
@ -110,17 +110,17 @@ Step Temp E_pair E_mol TotEng Press
     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
-Loop time of 1.03672 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.02794 on 4 procs for 250 steps with 4000 atoms

-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+99.6% CPU use with 4 MPI tasks x no OpenMP threads
 balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
-  rebalancing time: 0.000267982 seconds
+  rebalancing time: 0.000314951 seconds
  iteration count = 10
  neigh weight factor: 0.8
  time weight factor: 0.6
-  initial/final max load/proc = 1393.27 1116.61
-  initial/final imbalance factor = 1.25201 1.0034
-  x cuts: 0 0.337163 0.448601 0.555904 1
+  initial/final max load/proc = 109.37 93.2369
+  initial/final imbalance factor = 1.17599 1.00252
+  x cuts: 0 0.31323 0.448651 0.560211 1
  y cuts: 0 1
  z cuts: 0 1
 run             250
@ -132,40 +132,40 @@ Step Temp E_pair E_mol TotEng Press
     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122 
     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278 
    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
-Loop time of 1.07042 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.0482 on 4 procs for 250 steps with 4000 atoms

-Performance: 100895.237 tau/day, 233.554 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 103033.455 tau/day, 238.503 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.56894    | 0.64706    | 0.72522    |   8.1 | 60.45
-Neigh   | 0.091286   | 0.17756    | 0.29256    |  20.9 | 16.59
-Comm    | 0.042178   | 0.23721    | 0.40194    |  31.6 | 22.16
-Output  | 0.00012493 | 0.0001505  | 0.00017571 |   0.1 |  0.01
-Modify  | 0.0016253  | 0.0032219  | 0.0054028  |   2.9 |  0.30
-Other   |            | 0.005214   |            |       |  0.49
+Pair    | 0.59706    | 0.65768    | 0.71098    |   5.8 | 62.74
+Neigh   | 0.094988   | 0.17834    | 0.28455    |  19.8 | 17.01
+Comm    | 0.057361   | 0.20341    | 0.34531    |  28.7 | 19.41
+Output  | 0.00013709 | 0.00020045 | 0.0002768  |   0.4 |  0.02
+Modify  | 0.0016088  | 0.0032223  | 0.0052993  |   2.8 |  0.31
+Other   |            | 0.005343   |            |       |  0.51

-Nlocal:    1000 ave 1695 max 489 min
+Nlocal:    1000 ave 1684 max 506 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8733.5 ave 10199 max 7650 min
+Nghost:    8706.25 ave 10207 max 7655 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Neighs:    150170 ave 163204 max 140236 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Neighs:    150170 ave 166473 max 132232 min
-Histogram: 1 1 0 0 0 0 0 0 0 2

 Total # of neighbors = 600681
 Ave neighs/atom = 150.17
 Neighbor list builds = 25
 Dangerous builds = 0
 balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
-  rebalancing time: 0.000238895 seconds
+  rebalancing time: 0.000258207 seconds
  iteration count = 10
  neigh weight factor: 0.8
  time weight factor: 0.6
-  initial/final max load/proc = 1167.62 1095.43
-  initial/final imbalance factor = 1.07395 1.00755
-  x cuts: 0 0.345978 0.449963 0.551398 1
+  initial/final max load/proc = 96.6033 94.7484
+  initial/final imbalance factor = 1.0231 1.00345
+  x cuts: 0 0.315478 0.450068 0.579538 1
  y cuts: 0 1
  z cuts: 0 1
 run             250
@ -177,27 +177,27 @@ Step Temp E_pair E_mol TotEng Press
    1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678 
    1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178 
    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797 
-Loop time of 1.11596 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.02694 on 4 procs for 250 steps with 4000 atoms

-Performance: 96777.859 tau/day, 224.023 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 105166.691 tau/day, 243.441 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.56315    | 0.66085    | 0.76319    |  10.9 | 59.22
-Neigh   | 0.085606   | 0.18033    | 0.29805    |  21.9 | 16.16
-Comm    | 0.044225   | 0.2661     | 0.4596     |  35.4 | 23.84
-Output  | 0.00015068 | 0.0001756  | 0.00020194 |   0.1 |  0.02
-Modify  | 0.0015557  | 0.0032289  | 0.0054245  |   3.0 |  0.29
-Other   |            | 0.005279   |            |       |  0.47
+Pair    | 0.6025     | 0.64932    | 0.70125    |   5.6 | 63.23
+Neigh   | 0.093299   | 0.17549    | 0.27782    |  19.3 | 17.09
+Comm    | 0.05188    | 0.19352    | 0.31909    |  28.5 | 18.84
+Output  | 0.00022793 | 0.00024354 | 0.00027609 |   0.1 |  0.02
+Modify  | 0.0016394  | 0.0032356  | 0.0052338  |   2.8 |  0.32
+Other   |            | 0.005129   |            |       |  0.50

-Nlocal:    1000 ave 1694 max 462 min
+Nlocal:    1000 ave 1659 max 494 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8755.25 ave 10227 max 7675 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Neighs:    149995 ave 173733 max 125545 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    8646.75 ave 9782 max 7837 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Neighs:    149995 ave 165511 max 134186 min
+Histogram: 1 1 0 0 0 0 0 0 1 1

 Total # of neighbors = 599979
 Ave neighs/atom = 149.995
--- a/Show More
+++ b/Show More