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);
   }
 
a><a class='active' href='/guix/log/guix/scripts/import/stackage.scm?showmsg=1'>log</a><a href='/guix/tree/guix/scripts/import/stackage.scm'>tree</a><a href='/guix/commit/guix/scripts/import/stackage.scm'>commit</a><a href='/guix/diff/guix/scripts/import/stackage.scm'>diff</a></td><td class='form'><form class='right' method='get' action='/guix/log/guix/scripts/import/stackage.scm'>
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<div class='path'>path: <a href='/guix/log/?showmsg=1'>root</a>/<a href='/guix/log/guix?showmsg=1'>guix</a>/<a href='/guix/log/guix/scripts?showmsg=1'>scripts</a>/<a href='/guix/log/guix/scripts/import?showmsg=1'>import</a>/<a href='/guix/log/guix/scripts/import/stackage.scm?showmsg=1'>stackage.scm</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/guix/scripts/import/stackage.scm'>Collapse</a>)</th><th class='left'>Author</th></tr>
<tr class='logheader'><td><span title='2021-08-04 17:22:19 +0200'>2021-08-04</span></td><td class='logsubject'><a href='/guix/commit/guix/scripts/import/stackage.scm?id=15452f319c08f5654963dc11425eab01067df087'>import: Use PARSE-COMMAND-LINE for options.</a></td><td>Sarah Morgensen</td></tr>
<tr class='nohover-highlight'><td/><td colspan='3' class='logmsg'>
* guix/scripts/import/go.scm (guix-import-go)[parse-options]: Use
PARSE-COMMAND-LINE instead of ARGS-FOLD*.
* guix/scripts/import/egg.scm (guix-import-egg)[parse-options]:
Likewise.
* guix/scripts/import/gem.scm (guix-import-gem)[parse-options]:
Likewise.
* guix/scripts/import/gnu.scm (guix-import-gnu)[parse-options]:
Likewise.
* guix/scripts/import/cpan.scm (guix-import-cpan)[parse-options]:
Likewise.
* guix/scripts/import/cran.scm (guix-import-cran)[parse-options]:
Likewise.
* guix/scripts/import/elpa.scm (guix-import-elpa)[parse-options]:
Likewise.
* guix/scripts/import/json.scm (guix-import-json)[parse-options]:
Likewise.
* guix/scripts/import/opam.scm (guix-import-opam)[parse-options]:
Likewise.
* guix/scripts/import/pypi.scm (guix-import-pypi)[parse-options]:
Likewise.
* guix/scripts/import/crate.scm (guix-import-crate)[parse-options]:
Likewise.
* guix/scripts/import/texlive.scm (guix-import-texlive)[parse-options]:
Likewise.
* guix/scripts/import/hackage.scm (guix-import-hackage)[parse-options]:
Likewise.
* guix/scripts/import/stackage.scm (guix-import-stackage)[parse-options]:
Likewise.

Signed-off-by: Ludovic Courtès &lt;ludo@gnu.org&gt;


</td></tr>
<tr class='logheader'><td><span title='2019-12-11 12:13:03 +0100'>2019-12-11</span></td><td class='logsubject'><a href='/guix/commit/guix/scripts/import/stackage.scm?id=70a8e13277d4a44b89dd9ee2290b98105f0235f1'>import: utils: 'recursive-import' returns a list rather than a stream.</a></td><td>Ludovic Courtès</td></tr>
<tr class='nohover-highlight'><td/><td colspan='3' class='logmsg'>
* guix/import/utils.scm (recursive-import): Remove 'list-&gt;stream' call.
* guix/scripts/import/cran.scm (guix-import-cran): Remove 'stream-&gt;list'
call.
* guix/scripts/import/crate.scm (guix-import-crate): Likewise.
* guix/scripts/import/elpa.scm (guix-import-elpa): Likewise.
* guix/scripts/import/gem.scm (guix-import-gem): Likewise.
* guix/scripts/import/hackage.scm (guix-import-hackage): Likewise.
* guix/scripts/import/opam.scm (guix-import-opam): Likewise.
* guix/scripts/import/pypi.scm (guix-import-pypi): Likewise.
* guix/scripts/import/stackage.scm (guix-import-stackage): Likewise.
* tests/gem.scm ("gem-recursive-import"): Likewise.
* tests/import-utils.scm ("recursive-import"): Likewise.

Co-authored-by: Brian Leung &lt;bkleung89@gmail.com&gt;


</td></tr>
<tr class='logheader'><td><span title='2019-12-11 12:12:58 +0100'>2019-12-11</span></td><td class='logsubject'><a href='/guix/commit/guix/scripts/import/stackage.scm?id=ddd59159004ca73c9449a27945116ff5069c3743'>import: utils: 'recursive-import' returns packages in topological order.</a></td><td>Ludovic Courtès</td></tr>
<tr class='nohover-highlight'><td/><td colspan='3' class='logmsg'>
* guix/import/utils.scm (topological-sort): New procedure.
(recursive-import): Rewrite to use it.
* tests/import-utils.scm ("recursive-import"): New test.
* guix/import/cran.scm (cran-&gt;guix-package): Always return two values.
* guix/scripts/import/cran.scm (guix-import-cran): Remove 'reverse' call
on 'cran-recursive-import' result.
* guix/scripts/import/crate.scm (guix-import-crate): Likewise.
* guix/scripts/import/elpa.scm (guix-import-elpa): Likewise.
* guix/scripts/import/gem.scm (guix-import-gem): Likewise.
* guix/scripts/import/hackage.scm (guix-import-hackage): Likewise.
* guix/scripts/import/opam.scm (guix-import-opam): Likewise.
* guix/scripts/import/pypi.scm (guix-import-pypi): Likewise.
* guix/scripts/import/stackage.scm (guix-import-stackage): Likewise.
* tests/gem.scm ("gem-recursive-import"): Change the order of package
expressions accordingly.


</td></tr>
<tr class='logheader'><td><span title='2018-08-30 15:22:06 +0200'>2018-08-30</span></td><td class='logsubject'><a href='/guix/commit/guix/scripts/import/stackage.scm?id=a3ece51a29241c7060323cbbfc602c83200ffe4a'>import: stackage: Support recursive importing.</a></td><td>Ricardo Wurmus</td></tr>
<tr class='nohover-highlight'><td/><td colspan='3' class='logmsg'>
* guix/import/hackage.scm (hackage-name-&gt;package-name): Export procedure.
* guix/import/stackage.scm (lts-info-packages-lts-info): Fix match expression.
(stackage-recursive-import): New procedure.
(stackage-&gt;guix-package): Memoize results.
* guix/scripts/import/stackage.scm (show-help, %options,
guix-import-stackage): Support recursive importing.
* doc/guix.texi (Invoking guix import): Document option.


</td></tr>