git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@938 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2007-10-03 16:26:20 +00:00
parent 9be7620ace
commit 10cb6b72e9
15 changed files with 2284 additions and 0 deletions
--- a/src/neigh_request.cpp
+++ b/src/neigh_request.cpp
@ -0,0 +1,164 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under 
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include "neigh_request.h"
+#include "atom.h"
+#include "memory.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
+{
+  // default ID = 0
+
+  id = 0;
+
+  // default is pair request
+
+  pair = 1;
+  fix = compute = command = 0;
+
+  // default is half neighbor list
+
+  half = 1;
+  full = 0;
+  gran = granhistory = 0;
+  respainner = respamiddle = respaouter = 0;
+  half_from_full = 0;
+
+  // default is every reneighboring
+
+  occasional = 0;
+
+  // default is no auxiliary floating point values
+
+  dnum = 0;
+
+  // default is no copy or skip
+
+  copy = 0;
+  skip = 0;
+  iskip = NULL;
+  ijskip = NULL;
+  otherlist = -1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+NeighRequest::~NeighRequest()
+{
+  delete [] iskip;
+  memory->destroy_2d_int_array(ijskip);
+}
+
+/* ----------------------------------------------------------------------
+   compare this request to other request
+   return 1 if every variable is same, 0 if different in any way
+------------------------------------------------------------------------- */
+
+int NeighRequest::identical(NeighRequest *other)
+{
+  int same = 1;
+
+  if (requestor != other->requestor) same = 0;
+  if (id != other->id) same = 0;
+  
+  if (pair != other->pair) same = 0;
+  if (fix != other->fix) same = 0;
+  if (compute != other->compute) same = 0;
+  if (command != other->command) same = 0;
+
+  if (half != other->half) 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 (occasional != other->occasional) same = 0;
+  if (dnum != other->dnum) same = 0;
+
+  if (copy != other->copy) same = 0;
+  if (same_skip(other) == 0) same = 0;
+  if (otherlist != other->otherlist) same = 0;
+
+  return same;
+}
+
+/* ----------------------------------------------------------------------
+   compare kind of this request to other request
+   return 1 if same, 0 if different
+------------------------------------------------------------------------- */
+
+int NeighRequest::same_kind(NeighRequest *other)
+{
+  int same = 1;
+
+  if (half != other->half) 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;
+
+  return same;
+}
+
+/* ----------------------------------------------------------------------
+   set kind value of this request to that of other request
+------------------------------------------------------------------------- */
+
+void NeighRequest::copy_kind(NeighRequest *other)
+{
+  half = 0;
+
+  if (other->half) half = 1;
+  if (other->full) full = 1;
+  if (other->gran) gran = 1;
+  if (other->granhistory) granhistory = 1;
+  if (other->respainner) respainner = 1;
+  if (other->respamiddle) respamiddle = 1;
+  if (other->respaouter) respaouter = 1;
+  if (other->half_from_full) half_from_full = 1;
+}
+
+/* ----------------------------------------------------------------------
+   compare skip attributes of this request to other request
+   return 1 if same, 0 if different
+------------------------------------------------------------------------- */
+
+int NeighRequest::same_skip(NeighRequest *other)
+{
+  int i,j;
+
+  int same = 1;
+
+  if (skip != other->skip) same = 0;
+  if (skip && other->skip) {
+    int ntypes = atom->ntypes;
+    for (i = 1; i <= ntypes; i++)
+      if (iskip[i] != other->iskip[i]) same = 0;
+    for (i = 1; i <= ntypes; i++)
+      for (j = 1; j <= ntypes; j++)
+	if (ijskip[i][j] != other->ijskip[i][j]) same = 0;
+  }
+
+  return same;
+}
+