From 2ce94eb2ac72531ea8ff23308e51592a07f31811 Mon Sep 17 00:00:00 2001
From: Pietro Incardona <incardon@mpi-cbg.de>
Date: Fri, 14 Oct 2016 13:39:44 +0200
Subject: [PATCH] Stabilized LJ
---
src/Vector/vector_dist.hpp | 42 ++++++++++++++++++++--
src/Vector/vector_dist_cell_list_tests.hpp | 3 ++
src/Vector/vector_dist_unit_test.hpp | 2 --
3 files changed, 43 insertions(+), 4 deletions(-)
diff --git a/src/Vector/vector_dist.hpp b/src/Vector/vector_dist.hpp
index e8e0832b1..e9d457fda 100644
--- a/src/Vector/vector_dist.hpp
+++ b/src/Vector/vector_dist.hpp
@@ -440,8 +440,7 @@ public:
// Clear the cell list from the previous particles
cell_list.clear();
- // for each particle add the particle to the cell list
-
+ // for each particle real and ghost, add the particle to the cell list
auto it = getIterator();
while (it.isNext())
@@ -456,6 +455,45 @@ public:
cell_list.set_gm(g_m);
}
+ /*! \brief Update a cell list using the stored particles
+ *
+ * \tparam CellL CellList type to construct
+ *
+ * \param cell_list Cell list to update
+ *
+ */
+ template<typename CellL = CellList<dim, St, FAST, shift<dim, St> > > void updateCellListSym(CellL & cell_list)
+ {
+ // Clear the cell list from the previous particles
+ cell_list.clear();
+
+ // for each particle real and ghost, add the particle to the cell list
+ auto it = getDomainIterator();
+
+ while (it.isNext())
+ {
+ auto key = it.get();
+
+ cell_list.addDom(this->getPos(key), key.getKey());
+
+ ++it;
+ }
+
+ // for each particle real and ghost, add the particle to the cell list
+ it = getGhostIterator();
+
+ while (it.isNext())
+ {
+ auto key = it.get();
+
+ cell_list.addGhost(this->getPos(key), key.getKey());
+
+ ++it;
+ }
+
+ cell_list.set_gm(g_m);
+ }
+
/*! \brief Construct a cell list starting from the stored particles
*
* It differ from the get getCellList for an additional parameter, in case the
diff --git a/src/Vector/vector_dist_cell_list_tests.hpp b/src/Vector/vector_dist_cell_list_tests.hpp
index b6c4265a4..bb878a10d 100644
--- a/src/Vector/vector_dist_cell_list_tests.hpp
+++ b/src/Vector/vector_dist_cell_list_tests.hpp
@@ -524,6 +524,9 @@ BOOST_AUTO_TEST_CASE( vector_dist_symmetric_cell_list )
for (size_t i = 0 ; i < vd.getProp<3>(p).size() ; i++)
ret &= vd.getProp<3>(p).get(i).id == vd.getProp<4>(p).get(i).id;
+ if (ret == false)
+ break;
+
++p_it3;
}
diff --git a/src/Vector/vector_dist_unit_test.hpp b/src/Vector/vector_dist_unit_test.hpp
index 90bd56628..ac68bea2e 100644
--- a/src/Vector/vector_dist_unit_test.hpp
+++ b/src/Vector/vector_dist_unit_test.hpp
@@ -1239,8 +1239,6 @@ BOOST_AUTO_TEST_CASE( vector_dist_cell_verlet_test )
vd.ghost_get<0>();
- vd.write("Debug_output");
-
// calculate the distance of the first, second and third neighborhood particle
// Consider that they are on a regular grid
--
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