From e0665d834a16b79526e4a073639c170dbdda63de Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 20 Mar 2009 15:01:17 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2693
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/dump_custom.cpp | 2 +-
 src/min_cg.cpp      | 9 +++------
 src/run.cpp         | 2 +-
 src/temper.cpp      | 2 +-
 4 files changed, 6 insertions(+), 9 deletions(-)

diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp
index a9068f151b..fbee19b1b5 100644
--- a/src/dump_custom.cpp
+++ b/src/dump_custom.cpp
@@ -548,7 +548,7 @@ int DumpCustom::count()
 	  dchoose[i] = (image[i] >> 10 & 1023) - 512;
 	ptr = dchoose;
 	nstride = 1;
-      } else if (thresh_array[ithresh] == IX) {
+      } else if (thresh_array[ithresh] == IZ) {
 	int *image = atom->image;
 	for (i = 0; i < nlocal; i++)
 	  dchoose[i] = (image[i] >> 20) - 512;
diff --git a/src/min_cg.cpp b/src/min_cg.cpp
index e0893692c5..add6e7fc43 100644
--- a/src/min_cg.cpp
+++ b/src/min_cg.cpp
@@ -169,7 +169,6 @@ void MinCG::run()
   // normalize energy if thermo PE does
 
   setup();
-  setup_vectors();
 
   // setup any extra dof due to fixes
   // can't be done until now b/c update init() comes before modify init()
@@ -807,7 +806,7 @@ int MinCG::linemin_quadratic(int n, double *x, double *dir,
     }
 
     // check if ready for quadratic projection, equivalent to secant method
-    // alpha0 = projected alpha, perform step, exit with success
+    // alpha0 = projected alpha
 
     relerr = fabs(1.0+(0.5*alpha*(alpha-alphaprev)*(fh+fhprev)-eng)/engprev);
     alpha0 = alpha - (alpha-alphaprev)*fh/delfh;
@@ -825,11 +824,9 @@ int MinCG::linemin_quadratic(int n, double *x, double *dir,
 
       de_ideal = -BACKTRACK_SLOPE*alpha0*fdotdirall;
       de = eng - eoriginal;
-      if (de <= de_ideal || de_ideal >= -IDEAL_TOL) {
-	return 0;
-      }
+      if (de <= de_ideal || de_ideal >= -IDEAL_TOL) return 0;
 
-      // Drop back from alpha0 to alpha
+      // drop back from alpha0 to alpha
 
       if (nextra) modify->min_step(0.0,hextra);
       for (i = 0; i < n; i++) x[i] = x0[i];
diff --git a/src/run.cpp b/src/run.cpp
index 7eb539a971..9b8d49a2ab 100644
--- a/src/run.cpp
+++ b/src/run.cpp
@@ -110,7 +110,7 @@ void Run::command(int narg, char **arg)
 
   // adjust nsteps if upto was specified
 
-  if (uptoflag) nsteps = nsteps - update->ntimestep;
+  if (uptoflag) nsteps -= update->ntimestep;
 
   // error check
 
diff --git a/src/temper.cpp b/src/temper.cpp
index 47b5db9817..c1a9a4cb43 100644
--- a/src/temper.cpp
+++ b/src/temper.cpp
@@ -273,7 +273,7 @@ void Temper::command(int narg, char **arg)
     if (swap) {
       new_temp = set_temp[partner_set_temp];
       modify->fix[whichfix]->reset_target(new_temp);
-  }
+    }
 
     // update my_set_temp and temp2world on every proc
     // root procs update their value if swap took place