From owner-chemistry@ccl.net Thu Feb 14 10:21:00 2013
From: "Jeffrey Tilson jtilson]|[renci.org" <owner-chemistry|server.ccl.net>
To: CCL
Subject: CCL: Installer update: Voluminous chemistry software
Message-Id: <-48228-130214101939-26967-8BGWz6bLCrYazSdRpU+21A|server.ccl.net>
X-Original-From: "Jeffrey   Tilson" <jtilson a renci.org>
Date: Thu, 14 Feb 2013 10:19:38 -0500


Sent to CCL by: "Jeffrey   Tilson" [jtilson[a]renci.org]
Some of you have recently downloaded the win32 installer for the recently announced chemistry visualization software Voluminous. As this code is under active development we recommend monitoring the RENCI gForge website (where you got the software) for updates bug fixes, mechanisms for feedback, etc.

I am sending this update to the list ( and I apologize for this one-time update to CCL) because it immediately impacts first time users. The win32 version available through this morning had Qt.dll dependencies. You could install your own dlls but we feel it necessary for the installation to be as simple as possible.

Thus, we updated the installer of the win32 version. It should now install and execute without further effort by the user.

The best process will be to uninstall your current version and download a fresh version.


Thanks


From owner-chemistry@ccl.net Thu Feb 14 11:20:00 2013
From: "Sergio Manzetti sergio.manzetti+/-gmx.com" <owner-chemistry]_[server.ccl.net>
To: CCL
Subject: CCL:G: Spin-orbit coupling to orbital-momentum
Message-Id: <-48229-130214111602-19377-+RisPBQKKCFoEoonnB5ekA]_[server.ccl.net>
X-Original-From: "Sergio Manzetti" <sergio.manzetti() gmx.com>
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Date: Thu, 14 Feb 2013 17:15:53 +0100
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Sent to CCL by: "Sergio Manzetti" [sergio.manzetti_-_gmx.com]
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Dear all, is there a keyword in Gaussian, or is there any software that can visualize or quantitize the spin-orbit coupling to the orbital angular momentum in a rigid structure, such as a lattice? This would naturally give valuable data for magnetic effects in a cluster of atoms.

Thanks

Best wishes

Sergio

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<span style=3D'font-family:Verdana'><span style=3D'font-size:12px'>Dear all=
, is there a keyword in Gaussian, or is there any software that can visuali=
ze or quantitize the spin-orbit coupling to the orbital angular momentum in=
 a rigid structure, such as a lattice? This would naturally give valuable d=
ata for magnetic effects in&nbsp; a cluster of atoms.<br /><br />Thanks<br =
/><br />Best wishes<br /><br />Sergio</span></span>

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