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); } ix/refs/?id=9c67673d7bb9cdc43c1196b075447b57aff74039'>refslogtreecommitdiff
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2021-05-20The #guix channel is hosted by Libera Chat....* README (Contact): Update network name. * ROADMAP: Likewise. * doc/contributing.texi (Contributing): Likewise. * doc/guix.texi (After System Installation): Likewise. Tobias Geerinckx-Rice
2020-10-23doc: Update README....* README (Installation): Do not mention installing Guix from Git anymore. (Building from Git): Add section. Maxim Cournoyer
2020-10-22README: Refer to the manual for building from Git....* README (Installing Guix from Guix): Remove section. (Installation): For installing from Git, refer to the "Building from Git" section of the manual and suggest using './pre-inst-env guix pull' rather than 'make install' for installing Guix. Maxim Cournoyer