From ae56b9ad89156fca0791f33f4381bdfa2206a23b Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 30 Mar 2017 10:07:27 -0600
Subject: [PATCH] patch 31Mar17 for stable release

---
 doc/src/Manual.txt          | 4 ++--
 doc/src/Section_howto.txt   | 2 +-
 doc/src/dihedral_charmm.txt | 4 ++--
 doc/src/pair_charmm.txt     | 4 ++--
 src/fix_halt.cpp            | 3 +--
 src/version.h               | 2 +-
 6 files changed, 9 insertions(+), 10 deletions(-)

diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index db6ef2b79f..ba79f78cb2 100644
--- 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="28 Mar 2017 version">
+<META NAME="docnumber" CONTENT="31 Mar 2017 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
-28 Mar 2017 version :c,h4
+31 Mar 2017 version :c,h4
 
 Version info: :h4
 
diff --git a/doc/src/Section_howto.txt b/doc/src/Section_howto.txt
index 78478c3fe6..6f59f8b55e 100644
--- a/doc/src/Section_howto.txt
+++ b/doc/src/Section_howto.txt
@@ -1686,7 +1686,7 @@ nph) and Berendsen:
 The "fix npt"_fix_nh.html commands include a Nose-Hoover thermostat
 and barostat.  "Fix nph"_fix_nh.html is just a Nose/Hoover barostat;
 it does no thermostatting.  Both "fix nph"_fix_nh.html and "fix
-press/bernendsen"_fix_press_berendsen.html can be used in conjunction
+press/berendsen"_fix_press_berendsen.html can be used in conjunction
 with any of the thermostatting fixes.
 
 As with the thermostats, "fix npt"_fix_nh.html and "fix
diff --git a/doc/src/dihedral_charmm.txt b/doc/src/dihedral_charmm.txt
index f4637e776d..9fe05a1148 100644
--- a/doc/src/dihedral_charmm.txt
+++ b/doc/src/dihedral_charmm.txt
@@ -90,8 +90,8 @@ the difference between the {charmm} and {charmmfsh} styles is in the
 computation of the 1-4 non-bond interactions, though only if the
 distance between the two atoms is within the switching region of the
 pairwise potential defined by the corresponding CHARMM pair style,
-i.e. between the inner and outer cutoffs specified for the pair style.
-The {charmmfsh} style should only be used when using the "pair_style
+i.e. within the outer cutoff specified for the pair style.  The
+{charmmfsh} style should only be used when using the "pair_style
 lj/charmmfsw/coul/charmmfsh"_pair_charmm.html to make the Coulombic
 pairwise calculations consistent.  Use the {charmm} style with
 long-range Coulombics or the older "pair_style
diff --git a/doc/src/pair_charmm.txt b/doc/src/pair_charmm.txt
index 94954a2226..ba6e60e121 100644
--- a/doc/src/pair_charmm.txt
+++ b/doc/src/pair_charmm.txt
@@ -49,8 +49,8 @@ args = list of arguments for a particular style :ul
 
 pair_style lj/charmm/coul/charmm 8.0 10.0
 pair_style lj/charmm/coul/charmm 8.0 10.0 7.0 9.0
-pair_style lj/charmmfsw/coul/charmmfsh 8.0 10.0 
-pair_style lj/charmmfsw/coul/charmmfsh 8.0 10.0 7.0 9.0
+pair_style lj/charmmfsw/coul/charmmfsh 10.0 12.0
+pair_style lj/charmmfsw/coul/charmmfsh 10.0 12.0 9.0
 pair_coeff * * 100.0 2.0
 pair_coeff 1 1 100.0 2.0 150.0 3.5 :pre
 
diff --git a/src/fix_halt.cpp b/src/fix_halt.cpp
index 2a4af4dc66..bf60607799 100644
--- a/src/fix_halt.cpp
+++ b/src/fix_halt.cpp
@@ -254,10 +254,9 @@ double FixHalt::tlimit()
     bigint final = update->firststep + 
       static_cast<bigint> (tratio*value/cpu * elapsed);
     nextstep = (final/nevery)*nevery + nevery;
+    if (nextstep == update->ntimestep) nextstep += nevery;
     tratio = 1.0;
   }
 
-  //printf("EVAL %ld %g %d\n",update->ntimestep,cpu,nevery);
-
   return cpu;
 }
diff --git a/src/version.h b/src/version.h
index 80a545d9f1..0d5dc11b4a 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "28 Mar 2017"
+#define LAMMPS_VERSION "31 Mar 2017"
-- 
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