Fix incorrectly sized ga2la hash table

[alexxy/gromacs.git] / src / gromacs / domdec / ga2la.h

diff --git a/src/gromacs/domdec/ga2la.h b/src/gromacs/domdec/ga2la.h
index e4b972afbfd3f03d8892b76ec0debd43ea5fa083..6c054ebd19afb9a4794d09fc4b45a947d384e570 100644 (file)
--- a/src/gromacs/domdec/ga2la.h
+++ b/src/gromacs/domdec/ga2la.h
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2010,2014,2015,2017,2018 by the GROMACS development team.
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -149,8 +149,11 @@ public:
         }
     }
 
-    //! Clear all the entries in the list.
-    void clear()
+    /*! \brief Clear all the entries in the list.
+     *
+     * \param[in] resizeHashTable  When true the hash table is optimized based on the current number of entries stored
+     */
+    void clear(const bool resizeHashTable)
     {
         if (usingDirect_)
         {
@@ -159,6 +162,10 @@ public:
                 entry.cell = -1;
             }
         }
+        else if (resizeHashTable)
+        {
+            data_.hashed.clearAndResizeHashTable();
+        }
         else
         {
             data_.hashed.clear();