From 52cea818bf68f8a2d3c48d55d00c2f8b7da25e4c Mon Sep 17 00:00:00 2001 From: Daniel Hogan 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/'>summaryrefslogtreecommitdiff
path: root/gnu/packages/cmake.scm
AgeCommit message (Expand)Author
2024-04-03gnu: Add qmsetup....Maxim Cournoyer
2024-02-25gnu: cmake: Adjust vim plugin directory....Efraim Flashner
2023-10-24gnu: cmake-minimal: Remove ‘hidden’ property....Ludovic Courtès