From 653d41ec754cdc0fab98fc407963a87202192113 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 30 Sep 2010 21:43:11 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4914
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/min.cpp          |  7 +++++++
 src/min_quickmin.cpp | 10 +++++-----
 src/min_quickmin.h   |  8 ++++----
 3 files changed, 16 insertions(+), 9 deletions(-)

diff --git a/src/min.cpp b/src/min.cpp
index 2dc0858648..32928f1876 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -222,6 +222,13 @@ void Min::setup()
   neighbor->build();
   neighbor->ncalls = 0;
 
+  // remove these restriction eventually
+
+  if (nextra_global && searchflag == 0)
+    error->all("Cannot use a damped dynamics min style with fix box/relax");
+  if (nextra_atom && searchflag == 0)
+    error->all("Cannot use a damped dynamics min style with per-atom DOF");
+
   // atoms may have migrated in comm->exchange()
 
   reset_vectors();
diff --git a/src/min_quickmin.cpp b/src/min_quickmin.cpp
index dd4fdeb8b2..ae13f77a3c 100644
--- a/src/min_quickmin.cpp
+++ b/src/min_quickmin.cpp
@@ -31,18 +31,18 @@ enum{MAXITER,MAXEVAL,ETOL,FTOL,DOWNHILL,ZEROALPHA,ZEROFORCE,ZEROQUAD};
 
 /* ---------------------------------------------------------------------- */
 
-MinQuickmin::MinQuickmin(LAMMPS *lmp) : Min(lmp) {}
+MinQuickMin::MinQuickMin(LAMMPS *lmp) : Min(lmp) {}
 
 /* ---------------------------------------------------------------------- */
 
-void MinQuickmin::init_style()
+void MinQuickMin::init_style()
 {
   dt = update->dt;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void MinQuickmin::setup_style()
+void MinQuickMin::setup_style()
 {
   double **v = atom->v;
   int nlocal = atom->nlocal;
@@ -56,7 +56,7 @@ void MinQuickmin::setup_style()
    called after atoms have migrated
 ------------------------------------------------------------------------- */
 
-void MinQuickmin::reset_vectors()
+void MinQuickMin::reset_vectors()
 {
   // atomic dof
 
@@ -67,7 +67,7 @@ void MinQuickmin::reset_vectors()
 
 /* ---------------------------------------------------------------------- */
 
-int MinQuickmin::iterate(int maxiter)
+int MinQuickMin::iterate(int maxiter)
 {
   int ntimestep;
   double vmax,vdotf,vdotfall,fdotf,fdotfall,scale;
diff --git a/src/min_quickmin.h b/src/min_quickmin.h
index b6362922fa..dcdc227761 100644
--- a/src/min_quickmin.h
+++ b/src/min_quickmin.h
@@ -13,7 +13,7 @@
 
 #ifdef MINIMIZE_CLASS
 
-MinimizeStyle(quickmin,MinQuickmin)
+MinimizeStyle(quickmin,MinQuickMin)
 
 #else
 
@@ -24,10 +24,10 @@ MinimizeStyle(quickmin,MinQuickmin)
 
 namespace LAMMPS_NS {
 
-class MinQuickmin : public Min {
+class MinQuickMin : public Min {
  public:
-  MinQuickmin(class LAMMPS *);
-  ~MinQuickmin() {}
+  MinQuickMin(class LAMMPS *);
+  ~MinQuickMin() {}
   void init_style();
   void setup_style();
   void reset_vectors();