diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index b422d6ee16..5677d09a85 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
LAMMPS Users Manual
-
+
@@ -21,7 +21,7 @@
LAMMPS Documentation :c,h3
-17 Jan 2017 version :c,h4
+20 Jan 2017 version :c,h4
Version info: :h4
diff --git a/doc/src/kspace_style.txt b/doc/src/kspace_style.txt
index ae4548d4c4..492d1d88e7 100644
--- a/doc/src/kspace_style.txt
+++ b/doc/src/kspace_style.txt
@@ -229,11 +229,16 @@ dramatically in z. For example, for a triclinic system with all three
tilt factors set to the maximum limit, the PPPM grid should be
increased roughly by a factor of 1.5 in the y direction and 2.0 in the
z direction as compared to the same system using a cubic orthogonal
-simulation cell. One way to ensure the accuracy requirement is being
-met is to run a short simulation at the maximum expected tilt or
-length, note the required grid size, and then use the
+simulation cell. One way to handle this issue if you have a long
+simulation where the box size changes dramatically, is to break it
+into shorter simulations (multiple "run"_run.html commands). This
+works because the grid size is re-computed at the beginning of each
+run. Another way to ensure the descired accuracy requirement is met
+is to run a short simulation at the maximum expected tilt or length,
+note the required grid size, and then use the
"kspace_modify"_kspace_modify.html {mesh} command to manually set the
-PPPM grid size to this value.
+PPPM grid size to this value for the long run. The simulation then
+will be "too accurate" for some portion of the run.
RMS force errors in real space for {ewald} and {pppm} are estimated
using equation 18 of "(Kolafa)"_#Kolafa, which is also referenced as
@@ -285,6 +290,8 @@ LAMMPS"_Section_start.html#start_3 section for more info.
See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
+:line
+
[Restrictions:]
Note that the long-range electrostatic solvers in LAMMPS assume conducting
diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index b0d60aeaa0..cbcd5d640d 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -1102,6 +1102,7 @@ void Neighbor::print_pairwise_info()
{
int i,m;
char str[128];
+ const char *kind;
FILE *out;
const double cutghost = MAX(cutneighmax,comm->cutghostuser);
@@ -1160,8 +1161,16 @@ void Neighbor::print_pairwise_info()
}
fprintf(out,"%s",str);
- if (requests[i]->occasional) fprintf(out,", occasional");
- else fprintf(out,", perpetual");
+ if (requests[i]->half) kind = "half";
+ else if (requests[i]->full) kind = "full";
+ else if (requests[i]->gran) kind = "size";
+ else if (requests[i]->granhistory) kind = "size/history";
+ else if (requests[i]->respainner) kind = "respa/inner";
+ else if (requests[i]->respamiddle) kind = "respa/middle";
+ else if (requests[i]->respaouter) kind = "respa/outer";
+ else if (requests[i]->half_from_full) kind = "half/from/full";
+ if (requests[i]->occasional) fprintf(out,", %s, occasional",kind);
+ else fprintf(out,", %s, perpetual",kind);
if (requests[i]->ghost) fprintf(out,", ghost");
if (requests[i]->ssa) fprintf(out,", ssa");
if (requests[i]->omp) fprintf(out,", omp");
diff --git a/src/version.h b/src/version.h
index 9a5686a75f..1b3ba22b49 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "17 Jan 2017"
+#define LAMMPS_VERSION "20 Jan 2017"