diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index bb7a1452bc..eac324d7d6 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
-10 Mar 2017 version :c,h4
+17 Mar 2017 version :c,h4
Version info: :h4
diff --git a/doc/src/Section_commands.txt b/doc/src/Section_commands.txt
index 6e526dcb51..7ac60447ad 100644
--- a/doc/src/Section_commands.txt
+++ b/doc/src/Section_commands.txt
@@ -687,6 +687,7 @@ package"_Section_start.html#start_3.
"eos/cv"_fix_eos_cv.html,
"eos/table"_fix_eos_table.html,
"eos/table/rx"_fix_eos_table_rx.html,
+"filter/corotate"_fix_filter_corotate.html,
"flow/gauss"_fix_flow_gauss.html,
"gle"_fix_gle.html,
"grem"_fix_grem.html,
diff --git a/doc/src/fix_filter_corotate.txt b/doc/src/fix_filter_corotate.txt
index d22c85f09f..a3339648fa 100644
--- a/doc/src/fix_filter_corotate.txt
+++ b/doc/src/fix_filter_corotate.txt
@@ -31,26 +31,29 @@ fix cor all filter/corotate b 4 19 a 3 5 2 :pre
[Description:]
-This fix implements a corotational filter for a mollified impulse method. In
-biomolecular simulations, it allows the usage of larger timesteps for
-long-range electrostatic interactions. For details, see "(Fath)"_#Fath2017.
+This fix implements a corotational filter for a mollified impulse
+method. In biomolecular simulations, it allows the usage of larger
+timesteps for long-range electrostatic interactions. For details, see
+"(Fath)"_#Fath2017.
-When using "run_style respa"_run_style.html for a biomolecular simulation with high-frequency covalent
-bonds, the outer time-step is restricted to below ~ 4fs due to resonance
-problems. This fix filters the outer stage of the respa and thus a larger
-(outer) time-step can be used. Since in large biomolecular simulations the
-computation of the long-range electrostatic contributions poses a major
-bottleneck, this can significantly accelerate the simulation.
+When using "run_style respa"_run_style.html for a biomolecular
+simulation with high-frequency covalent bonds, the outer time-step is
+restricted to below ~ 4fs due to resonance problems. This fix filters
+the outer stage of the respa and thus a larger (outer) time-step can
+be used. Since in large biomolecular simulations the computation of
+the long-range electrostatic contributions poses a major bottleneck,
+this can significantly accelerate the simulation.
-The filter computes a cluster decomposition of the molecular structure following
-the criteria indicated by the options a, b, t and m. This process is similar to
-the approach in "fix shake"_fix_shake.html, however, the clusters are not kept
-contrained. Instead, the position is slightly modified only for the computation
-of long-range forces. A good cluster decomposition constitutes in building
-clusters which contain the fastest covalent bonds inside clusters.
+The filter computes a cluster decomposition of the molecular structure
+following the criteria indicated by the options a, b, t and m. This
+process is similar to the approach in "fix shake"_fix_shake.html,
+however, the clusters are not kept contrained. Instead, the position
+is slightly modified only for the computation of long-range forces. A
+good cluster decomposition constitutes in building clusters which
+contain the fastest covalent bonds inside clusters.
-If the clusters are chosen suitably, the "run_style respa"_run_style.html is stable for outer
-time-steps of at least 8fs.
+If the clusters are chosen suitably, the "run_style
+respa"_run_style.html is stable for outer time-steps of at least 8fs.
:line
@@ -81,4 +84,4 @@ Currently, it does not support "molecule templates"_molecule.html.
:line
:link(Fath2017)
-[(Fath)] Fath, Hochbruck, Singh, J Comp Phys, 333, 180-198 (2017).
\ No newline at end of file
+[(Fath)] Fath, Hochbruck, Singh, J Comp Phys, 333, 180-198 (2017).
diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp
index 6d5d470545..1fe704efb0 100644
--- a/src/RIGID/fix_shake.cpp
+++ b/src/RIGID/fix_shake.cpp
@@ -66,6 +66,7 @@ FixShake::FixShake(LAMMPS *lmp, int narg, char **arg) :
virial_flag = 1;
create_attribute = 1;
dof_flag = 1;
+
// error check
molecular = atom->molecular;
diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp
index e6f3b59d83..8b742d5ad4 100644
--- a/src/fix_store_state.cpp
+++ b/src/fix_store_state.cpp
@@ -38,7 +38,8 @@ enum{KEYWORD,COMPUTE,FIX,VARIABLE,DNAME,INAME};
FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
- nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL), values(NULL),
+ nvalues(0), which(NULL), argindex(NULL), value2index(NULL),
+ ids(NULL), values(NULL),
vbuf(NULL), pack_choice(NULL)
{
if (narg < 5) error->all(FLERR,"Illegal fix store/state command");
@@ -1046,7 +1047,8 @@ void FixStoreState::pack_ysu(int n)
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit)
- vbuf[n] = (x[i][1]-boxylo)*invyprd + (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
+ vbuf[n] = (x[i][1]-boxylo)*invyprd +
+ (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
else vbuf[n] = 0.0;
n += nvalues;
}
@@ -1158,7 +1160,8 @@ void FixStoreState::pack_iy(int n)
int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++) {
- if (mask[i] & groupbit) vbuf[n] = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
+ if (mask[i] & groupbit)
+ vbuf[n] = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
else vbuf[n] = 0.0;
n += nvalues;
}
diff --git a/src/rcb.cpp b/src/rcb.cpp
index 1aca015daf..919df98a19 100644
--- a/src/rcb.cpp
+++ b/src/rcb.cpp
@@ -1176,7 +1176,6 @@ void median_merge(void *in, void *inout, int *len, MPI_Datatype *dptr)
void RCB::invert(int sortflag)
{
-
// only create Irregular if not previously created
// allows Irregular to persist for multiple RCB calls by fix balance
diff --git a/src/version.h b/src/version.h
index e0aa18371c..d68cb2f09b 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "10 Mar 2017"
+#define LAMMPS_VERSION "17 Mar 2017"