From 52cea818bf68f8a2d3c48d55d00c2f8b7da25e4c Mon Sep 17 00:00:00 2001
From: Daniel Hogan <daniel.hogan@usask.ca>
Date: Tue, 28 Mar 2017 22:21:18 -0600
Subject: [PATCH] Remove delete statement.

When from_scratch is true, coordinates is not allocated. A separate if
statement was added to handle the case when from_scratch is true that
does not try to free coordinates.
---
 src/formats/nwchemformat.cpp | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/src/formats/nwchemformat.cpp b/src/formats/nwchemformat.cpp
index 6f625ad5b..79298555f 100644
--- a/src/formats/nwchemformat.cpp
+++ b/src/formats/nwchemformat.cpp
@@ -232,11 +232,14 @@ static const char* OPTIMIZATION_END_PATTERN = "  Optimization converged";
           break;
         tokenize(vs,buffer);
     }
-    if ((from_scratch)||(i != natoms))
-      {
+    if (from_scratch) 
+    {
+        return;
+    }
+    if (i != natoms) {
         delete[] coordinates;
         return;
-      }
+    }
     molecule->AddConformer(coordinates);
   }
 
'/guix/'>summary</a><a href='/guix/refs/?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>refs</a><a class='active' href='/guix/log/nix/libstore/sqlite.cc'>log</a><a href='/guix/tree/nix/libstore/sqlite.cc?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>tree</a><a href='/guix/commit/nix/libstore/sqlite.cc?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>commit</a><a href='/guix/diff/nix/libstore/sqlite.cc?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>diff</a></td><td class='form'><form class='right' method='get' action='/guix/log/nix/libstore/sqlite.cc'>
<input type='hidden' name='id' value='26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'/><select name='qt'>
<option value='grep'>log msg</option>
<option value='author'>author</option>
<option value='committer'>committer</option>
<option value='range'>range</option>
</select>
<input class='txt' type='search' size='10' name='q' value=''/>
<input type='submit' value='search'/>
</form>
</td></tr></table>
<div class='path'>path: <a href='/guix/log/?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>root</a>/<a href='/guix/log/nix?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>nix</a>/<a href='/guix/log/nix/libstore?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>libstore</a>/<a href='/guix/log/nix/libstore/sqlite.cc?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32'>sqlite.cc</a></div><div class='content'><table class='list nowrap'><tr class='nohover'><th class='left'>Age</th><th class='left'>Commit message (<a href='/guix/log/nix/libstore/sqlite.cc?id=26ee22f0bec408ac062eec5cdb1b1fb65f0b9e32&amp;showmsg=1'>Expand</a>)</th><th class='left'>Author</th></tr>