Bug#685316: marked as done (ITP: molds -- semi-empirical electronic structure and molecular dynamics)
Your message dated Fri, 31 Aug 2012 19:00:12 +0000
with message-id <E1T7WRw-0004JB-1S@franck.debian.org>
and subject line Bug#685316: fixed in molds 0.0~20120819-1
has caused the Debian Bug report #685316,
regarding ITP: molds -- semi-empirical electronic structure and molecular dynamics
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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685316: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=685316
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--- Begin Message ---
Package: wnpp
Severity: wishlist
Owner: debichem-devel@lists.alioth.debian.org
* Package name : molds
Version : no release yet
Upstream Author : Mikiya Fujii
* URL : http://en.sourceforge.jp/projects/molds/
* License : GPLv3+
Programming Lang: C++
Description : Semi-empirical electronic structure and molecular dynamics
MolDS is a Semi-Empirical electronic structure and molecular dynamics
package.
.
Features includes:
.
* Semi-Empirical methods CNDO2, INDO, ZINDO/S, MNDO, AM1 and PM3
* Excited States via Single Configuration Interaction (CIS)
* Dispersion corrections to AM1 (AM1-D) and PM3 (PM3-D)
* Pairwise Distance Directed Gaussian (PDDG) correction to PM3
(PM3/PDDG)
* Single-Point, geometry optimization, Molecular Dynamics (MD),
Monte-Carlo (MC) and Polymer Molecular Dynamics (RPMD) type of
calculations
.
MolDS currently ships parameters for the elements H, C, N, O, and S.
--- End Message ---
--- Begin Message ---
Source: molds
Source-Version: 0.0~20120819-1
We believe that the bug you reported is fixed in the latest version of
molds, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to 685316@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Michael Banck <mbanck@debian.org> (supplier of updated molds package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmaster@debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Format: 1.8
Date: Sun, 19 Aug 2012 15:54:52 +0200
Source: molds
Binary: molds
Architecture: source amd64
Version: 0.0~20120819-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
molds - Semi-empirical electronic structure and molecular dynamics
Closes: 685316
Changes:
molds (0.0~20120819-1) unstable; urgency=low
.
* Initial release (Closes: #685316).
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--- End Message ---
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