From chemistry-request@ccl.net Sat Feb 26 00:17:57 2005 Received: from rproxy.gmail.com (rproxy.gmail.com [64.233.170.194]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j1Q5HuMs012911 for ; Sat, 26 Feb 2005 00:17:56 -0500 Received: by rproxy.gmail.com with SMTP id r35so688289rna for ; Fri, 25 Feb 2005 21:17:56 -0800 (PST) DomainKey-Signature: a=rsa-sha1; q=dns; c=nofws; s=beta; d=gmail.com; h=received:message-id:date:from:reply-to:to:subject:cc:in-reply-to:mime-version:content-type:content-transfer-encoding:references; b=Q8CeNzDBVivmQizDgdLmr00gV0rkKNU6by18chBYh6Q1eWDo7tp+Vtv6do0jhYCrxnzfNf8aDZCgnQpdc/a1dFbIHPQ0T7IXf5EjSHaZ3GC9CDXI12yeGoHEYTbClY5m8j7iNQu315ZhbuFe5SjwW86DuevCKvGRrKhLWUUBPfQ= Received: by 10.38.22.76 with SMTP id 76mr308115rnv; Fri, 25 Feb 2005 20:17:56 -0800 (PST) Received: by 10.38.9.60 with HTTP; Fri, 25 Feb 2005 20:17:56 -0800 (PST) Message-ID: Date: Fri, 25 Feb 2005 22:17:56 -0600 From: Gustavo Seabra Reply-To: To: Marcel Torok Subject: Re: CCL:G03 and FC3 Cc: chemistry :: ccl.net In-Reply-To: <421EE300.1080904 :: kosice.upjs.sk> Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit References: <421EE300.1080904 :: kosice.upjs.sk> X-Spam-Status: No, hits=0.9 required=7.5 tests=REPLY_TO_EMPTY autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net On Fri, 25 Feb 2005 09:34:08 +0100, Marcel Torok wrote: > Dear colleagues, > are there som serious problem with running G03 on Fedora Core 3 version > of Linux or we have to use only distributions which are mentioned on > gaussian web pages (Suse, RH8.0, ...) We would like to buy license and > setup a new clean installation of linux. > > Thanks > > Marcel Torok Before I installed FC3, we already had G03 runnig well in RH8.0 and RH9.0. Then, I made a clean installation of FC3 and just *copied* the executables over... It worked great, and is still working. -- ------------------------------------------------------------------ Gustavo Seabra Graduate Student Chemistry Dept. Kansas State University Registered Linux user number 381680 ------------------------------------------------------------------ If at first you don't succeed... ...skydiving is not for you. From chemistry-request@ccl.net Fri Feb 25 12:43:18 2005 Received: from jilau1.Colorado.EDU (jilau1.colorado.edu [128.138.140.5]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j1PHhHMs017833 for ; Fri, 25 Feb 2005 12:43:17 -0500 Received: from ixion.colorado.edu (ixion.colorado.edu [128.138.107.182]) by jilau1.Colorado.EDU (8.12.11/8.12.10) with ESMTP id j1PGEiJL011781 (version=TLSv1/SSLv3 cipher=RC4-MD5 bits=128 verify=NOT); Fri, 25 Feb 2005 09:14:44 -0700 Subject: Re: CCL:Rotate objects in Power Point From: Matt Thompson To: John McKelvey Cc: Chemistry -()- ccl.net In-Reply-To: <421E8633.2090604 -()- attglobal.net> References: <421E8633.2090604 -()- attglobal.net> Organization: JILA Date: Fri, 25 Feb 2005 09:14:44 -0700 Message-Id: <1109348084.24141.11.camel -()- ixion.colorado.edu> On Thu, 2005-02-24 at 19:58 -0600, John McKelvey wrote: > Hello! >=20 > I'm a bit embarassed to post this here... but.. >=20 > I have a lot of JPEG [.jpg] files that came from a scanner and that past=20 > into Powerpoint rotated by 90 degrees.. Flip or Rotate will not work=20 > [Windows 97].. Any suggestions as to any utility that will let me read=20 > in a jpg image, let me rotate and writ it back out? >=20 > Sorry for the bandwidth on such a subject... Well, there is the GIMP, but it's probably a bit much to do this. I'd suggest ImageMagick, but it runs on Win98 and later. Not sure about Windows 97(?): http://www.imagemagick.org/www/windows.html If you do get it running, then you can use: convert -rotate 90 in.jpg out.jpg (or -90) on the command line. HTH, Matt --=20 The mayfly lives only one day, and sometimes it rains. - Geo. Carlin Matt Thompson -- http://ucsub.colorado.edu/~thompsma/ 440 UCB, Boulder, CO 80309-0440 JILA A510, 303-492-4662 From chemistry-request@ccl.net Sat Feb 26 06:56:08 2005 Received: from server.ccl.net (t157 [127.0.0.1]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j1QBu7tc002105 for ; Sat, 26 Feb 2005 06:56:07 -0500 Received: (from apache@localhost) by server.ccl.net (8.12.8/8.12.8/Submit) id j1QBu74a002103 for chemistry [a] ccl.net; Sat, 26 Feb 2005 06:56:07 -0500 Date: Sat, 26 Feb 2005 06:56:07 -0500 Message-Id: <200502261156.j1QBu74a002103 [a] server.ccl.net> X-Authentication-Warning: server.ccl.net: apache set sender to chemistry-request [a] ccl.net using -f From: "Qing, , Hu" To: chemistry [a] ccl.net X-Web-Message-Number: 050226065445-2044 Subject: W:total energy difference between low-spin and high-spin states X-Spam-Status: No, hits=2.5 required=7.5 tests=FORGED_YAHOO_RCVD, FROM_ENDS_IN_NUMS autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCL-ers, I'm using Gaussian03 to calculate Cu clusters. I have calculated the Cu cluster with different spin multiplicities. The total energy difference between spin multiplicities is expected to be quite small because the spin should build on the extended Cu-4s states. But, actually I got very large total energy difference. For example, for the cluster of 7 Cu atoms, the total energy difference between spin multiplicity 2 and 4 is about 1 eV. I'm not sure if the large energy difference is reasonable or I have done something strange. Followed please find my input files. I will be very grateful for any of your comments and suggestions. Thanks in advance. Qing Miao Hu Institute of Metal Research, CAS Wenhua Road, Shenyang 110016, P.R. China Spin multiplicity = 4 ------------------------------------------------------------ %Chk=./Cu07CP P Stable(Opt) PBEPBE/LANL2DZ SCF(Tight) Units(AU) cluster with 7 Cu atoms, functional GGA-PBE 0 4 Cu1 5.603662409 4.852914000 3.964054667 Cu2 9.806409215 2.426457000 3.964054667 Cu3 9.806409215 7.279371000 3.964054667 Cu4 11.207324901 4.852913855 7.928109570 Cu5 7.004578094 2.426456855 7.928109570 Cu6 7.004578094 7.279370855 7.928109570 Cu7 8.405493613 4.852914000 11.892164000 ------------------------------------------------------------- Total energy = -1373.12423135 Hr Spin Multiplicity = 2 ------------------------------------------------------------------ %Chk=./Cu07CP P Stable(Opt) PBEPBE/LANL2DZ SCF(QC) Units(AU) cluster with 7 Cu atoms, functional GGA-PBE 0 2 Cu1 5.603662409 4.852914000 3.964054667 Cu2 9.806409215 2.426457000 3.964054667 Cu3 9.806409215 7.279371000 3.964054667 Cu4 11.207324901 4.852913855 7.928109570 Cu5 7.004578094 2.426456855 7.928109570 Cu6 7.004578094 7.279370855 7.928109570 Cu7 8.405493613 4.852914000 11.892164000 ----------------------------------------------------------- Total energy = -1373.16849379 Hr From chemistry-request@ccl.net Sat Feb 26 00:15:26 2005 Received: from rproxy.gmail.com (rproxy.gmail.com [64.233.170.198]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j1Q5FOMs012714 for ; Sat, 26 Feb 2005 00:15:25 -0500 Received: by rproxy.gmail.com with SMTP id r35so688150rna for ; Fri, 25 Feb 2005 21:15:24 -0800 (PST) Received: by 10.38.12.2 with SMTP id 2mr304136rnl; Fri, 25 Feb 2005 20:15:24 -0800 (PST) Received: by 10.38.9.60 with HTTP; Fri, 25 Feb 2005 20:15:24 -0800 (PST) Message-ID: Date: Fri, 25 Feb 2005 22:15:24 -0600 From: Gustavo Seabra Reply-To: To: John McKelvey Subject: Re: CCL:Rotate objects in Power Point Cc: Chemistry = = = ccl.net In-Reply-To: <421E8633.2090604 = = = attglobal.net> References: <421E8633.2090604 = = = attglobal.net> On Thu, 24 Feb 2005 19:58:11 -0600, John McKelvey wrote: > Hello! > > I'm a bit embarassed to post this here... but.. > > I have a lot of JPEG [.jpg] files that came from a scanner and that past > into Powerpoint rotated by 90 degrees.. Flip or Rotate will not work > [Windows 97].. Any suggestions as to any utility that will let me read > in a jpg image, let me rotate and writ it back out? > > Sorry for the bandwidth on such a subject... > > Thanks! > > John McKelvey > > I suggest you get "the gimp". It's free, and it will allow you to make much more than just rotate the image. http://www.gimp.org/windows/ -- ------------------------------------------------------------------ Gustavo Seabra Graduate Student Chemistry Dept. Kansas State University Registered Linux user number 381680 ------------------------------------------------------------------ If at first you don't succeed... ...skydiving is not for you. From chemistry-request@ccl.net Sat Feb 26 12:54:46 2005 Received: from smtp.goldrush.com (smtp.goldrush.com [206.171.171.11]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j1QHsjtc018670 for ; Sat, 26 Feb 2005 12:54:46 -0500 Received: from goldrush.com (goldrush.com [206.171.171.1]) by smtp.goldrush.com (8.12.8/8.12.8) with ESMTP id j1QHrYqb012923; Sat, 26 Feb 2005 09:53:34 -0800 From: "chezbowlus" To: jmmckel _+_ attglobal.net Cc: CHEMISTRY _+_ ccl.net Subject: CCL:Rotate objects in Power Point Date: Sat, 26 Feb 2005 09:53:37 -0800 Message-Id: <20050226174900.M52277 _+_ goldrush.com> In-Reply-To: References: X-Mailer: Goldrush WebMail 2.21 20031202 X-OriginatingIP: 64.24.35.16 (chezbowlus) MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 X-MailScanner: Found to be clean X-MailScanner-SpamCheck: X-MailScanner-From: chezbowlus _+_ goldrush.com X-Spam-Status: No, hits=1.0 required=7.5 tests=IMPRONONCABLE_1 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net The Windows Paint program or Image and Fax Viewer will do this in XP. These are distributed with the OS. If you are using an elderly version of Windows (97?), you can probably find a version of Adobe PhotoDeluxe (1.1 or 2.0) that work back to Win95. Alternatively, there is a viewer and simple editor of the same vintage from Kodak which I preferred due to a small footprint. I seem to have lost that one with the last disk crash ... Cheers, Steve > >>> John McKelvey 2/24/2005 8:58:11 PM >>> > Hello! > > I'm a bit embarassed to post this here... but.. > > I have a lot of JPEG [.jpg] files that came from a scanner and that > past > into Powerpoint rotated by 90 degrees.. Flip or Rotate will not work > [Windows 97].. Any suggestions as to any utility that will let me read > > in a jpg image, let me rotate and writ it back out? > > Sorry for the bandwidth on such a subject... > > Thanks! > > John McKelvey