From 9b65f085f9d489d707360a7328177b4a5b7e549b Mon Sep 17 00:00:00 2001
From: Kevin Boyd <kevin.boyd@uconn.edu>
Date: Sat, 29 Dec 2018 19:31:52 -0500
Subject: [PATCH] Free more memory in constraints cleanup

Plug several end-of-MD memory leaks

Change-Id: I54c73723b0b4618eb3747be36ae848fcaa015551
---
 src/gromacs/mdlib/constr.cpp | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/src/gromacs/mdlib/constr.cpp b/src/gromacs/mdlib/constr.cpp
index 0a20f8baaf..8fb124001a 100644
--- a/src/gromacs/mdlib/constr.cpp
+++ b/src/gromacs/mdlib/constr.cpp
@@ -1122,6 +1122,18 @@ Constraints::Impl::Impl(const gmx_mtop_t     &mtop_p,
 
 Constraints::Impl::~Impl()
 {
+    if (bSettleErrorHasOccurred != nullptr)
+    {
+        sfree(bSettleErrorHasOccurred);
+    }
+    if (vir_r_m_dr_th != nullptr)
+    {
+        sfree(vir_r_m_dr_th);
+    }
+    if (settled != nullptr)
+    {
+        settle_free(settled);
+    }
     done_lincs(lincsd);
 }
 
-- 
2.11.4.GIT