From f447886276f8db2120733cdd4a7265f72eca0ac0 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 22 Nov 2013 22:15:48 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11052
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/neigh_request.cpp | 24 +++++++++++++++++++-----
 src/neigh_request.h   |  9 +++++++++
 src/neighbor.cpp      |  7 ++++++-
 3 files changed, 34 insertions(+), 6 deletions(-)

diff --git a/src/neigh_request.cpp b/src/neigh_request.cpp
index 9b82b5531a..5c362d29d8 100644
--- a/src/neigh_request.cpp
+++ b/src/neigh_request.cpp
@@ -71,9 +71,23 @@ NeighRequest::~NeighRequest()
   memory->destroy(ijskip);
 }
 
+/* ----------------------------------------------------------------------
+   archive request params that Neighbor may change after call to identical()
+------------------------------------------------------------------------- */
+
+void NeighRequest::archive()
+{
+  half_original = half;
+  half_from_full_original = half_from_full;
+  copy_original = copy;
+  otherlist_original = otherlist;
+}
+
 /* ----------------------------------------------------------------------
    compare this request to other request
-   return 1 if every variable is same, 0 if different in any way
+   identical means all params set by requestor are the same
+   compare to original values in other if Neighbor may have changed them
+   return 1 if identical, 0 if not
 ------------------------------------------------------------------------- */
 
 int NeighRequest::identical(NeighRequest *other)
@@ -88,14 +102,14 @@ int NeighRequest::identical(NeighRequest *other)
   if (compute != other->compute) same = 0;
   if (command != other->command) same = 0;
 
-  if (half != other->half) same = 0;
+  if (half != other->half_original) same = 0;
   if (full != other->full) same = 0;
   if (gran != other->gran) same = 0;
   if (granhistory != other->granhistory) same = 0;
   if (respainner != other->respainner) same = 0;
   if (respamiddle != other->respamiddle) same = 0;
   if (respaouter != other->respaouter) same = 0;
-  if (half_from_full != other->half_from_full) same = 0;
+  if (half_from_full != other->half_from_full_original) same = 0;
 
   if (newton != other->newton) same = 0;
   if (occasional != other->occasional) same = 0;
@@ -105,9 +119,9 @@ int NeighRequest::identical(NeighRequest *other)
   if (cudable != other->cudable) same = 0;
   if (omp != other->omp) same = 0;
 
-  if (copy != other->copy) same = 0;
+  if (copy != other->copy_original) same = 0;
   if (same_skip(other) == 0) same = 0;
-  if (otherlist != other->otherlist) same = 0;
+  if (otherlist != other->otherlist_original) same = 0;
 
   return same;
 }
diff --git a/src/neigh_request.h b/src/neigh_request.h
index af3e39839d..e16c2df814 100644
--- a/src/neigh_request.h
+++ b/src/neigh_request.h
@@ -91,10 +91,19 @@ class NeighRequest : protected Pointers {
 
   int otherlist;         // index of other list to copy or skip from
 
+  // original params by requester
+  // stored to compare against in identical() in case Neighbor changes them
+
+  int half_original;
+  int half_from_full_original;
+  int copy_original;
+  int otherlist_original;
+
   // methods
 
   NeighRequest(class LAMMPS *);
   ~NeighRequest();
+  void archive();
   int identical(NeighRequest *);
   int same_kind(NeighRequest *);
   int same_skip(NeighRequest *);
diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index ea1a7cdc00..10f7ce0a10 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -233,6 +233,7 @@ void Neighbor::init()
   //   needs to be non-zero for migration distance check
   //   even if pair = NULL and no neighbor lists are used
   // cutneigh = force cutoff + skin if cutforce > 0, else cutneigh = 0
+  // cutneighghost = pair cutghost if it requests it, else same as cutneigh
 
   triggersq = 0.25*skin*skin;
   boxcheck = 0;
@@ -270,7 +271,7 @@ void Neighbor::init()
       if (force->pair && force->pair->ghostneigh) {
         cut = force->pair->cutghost[i][j] + skin;
         cutneighghostsq[i][j] = cut*cut;
-      }
+      } else cutneighghostsq[i][j] = cut*cut;
     }
   }
   cutneighmaxsq = cutneighmax * cutneighmax;
@@ -435,6 +436,10 @@ void Neighbor::init()
   // no need to re-create if:
   //   neigh style, triclinic, pgsize, oneatom have not changed
   //   current requests = old requests
+  // first archive request params for current requests 
+  //   before Neighbor possibly changes them below
+
+  for (i = 0; i < nrequest; i++) requests[i]->archive();
 
   int same = 1;
   if (style != old_style) same = 0;