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	<title>Gangurru &#187; Computational Chemistry</title>
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		<title>Gangurru &#187; Computational Chemistry</title>
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			<item>
		<title>GaussQ 1.0</title>
		<link>http://gangurru.wordpress.com/2008/07/19/gaussq-10/</link>
		<comments>http://gangurru.wordpress.com/2008/07/19/gaussq-10/#comments</comments>
		<pubDate>Fri, 18 Jul 2008 19:16:00 +0000</pubDate>
		<dc:creator>gangurru</dc:creator>
				<category><![CDATA[Computational Chemistry]]></category>
		<category><![CDATA[GaussQ 1.0]]></category>
		<category><![CDATA[Ubuntu]]></category>
		<category><![CDATA[SuSE]]></category>
		<category><![CDATA[Download]]></category>

		<guid isPermaLink="false">http://gangurru.wordpress.com/2008/07/19/gaussq-10/</guid>
		<description><![CDATA[
version 1.0
freeware
release May 30, 2008
by: TRN, LCAC, KASETSART UNIVERSITY, THAILAND

INSTALLATION
1. Extract file
$ tar -xf GaussQ1.0.tar
2. Change directory
$ cd GaussQ1.0
3. Install (DO NOT USE sudo !!! but insert password while install progress, if needed)
$ ./install
($chmod 777 install) &#60;&#8211; do it if you can&#8217;t run install file
If you see 15 OKs, the installation is completed.
INSTRUCTIONS
$ subq FILE.com [...]<img alt="" border="0" src="http://stats.wordpress.com/b.gif?host=gangurru.wordpress.com&blog=4366785&post=7&subd=gangurru&ref=&feed=1" />]]></description>
			<content:encoded><![CDATA[<div class='snap_preview'><br /><p><img class="alignnone" style="border:0 none;margin-top:0;margin-bottom:10px;display:block;text-align:center;cursor:pointer;" src="http://bp2.blogger.com/_yTkbB_j0ptw/SIt6gUA4KMI/AAAAAAAADiw/Y-0P9rduTnI/s320/gaussq.jpg" border="0" alt="" width="129" height="45" /></p>
<p><span style="color:#ff0000;">version 1.0<br />
freeware<br />
release May 30, 2008<br />
by: TRN, LCAC, KASETSART UNIVERSITY, THAILAND</span><br />
<span id="more-7"></span><br />
<span><span style="font-weight:bold;">INSTALLATION</span><br />
1. Extract file<br />
<strong>$ tar -xf GaussQ1.0.tar</strong><br />
2. Change directory<br />
<strong>$ cd GaussQ1.0</strong><br />
3. Install (DO NOT USE sudo !!! but insert password while install progress, if needed)<br />
<strong>$ ./install</strong><br />
(<strong>$chmod 777 install</strong>) &lt;&#8211; do it if you can&#8217;t run install file<br />
<span style="color:#ff0000;">If you see 15 OKs, the installation is completed.</span></span></p>
<p><span style="font-weight:bold;">INSTRUCTIONS</span><br />
<span style="color:#ff0000;">$ subq FILE.com</span> :Submit job to run or to be queued<br />
<span style="color:#ff0000;">$ showq</span> :Show a running job, queued jobs, terminated jobs, and deleted jobs<br />
<span style="color:#ff0000;">$ delq FILE.com</span> <img src='http://s.wordpress.com/wp-includes/images/smilies/icon_biggrin.gif' alt=':D' class='wp-smiley' /> elete a running job or a queued job<br />
<span style="color:#ff0000;">$ hisq</span> :Show history or clear history<br />
<span style="color:#ff0000;">$ hisq -clear </span> :Clear history<br />
<span style="color:#ff0000;">$ logq FILE.com</span> :Show log file</p>
<p><span style="font-weight:bold;">UNINSTALLATION</span><br />
1. Change directory (USER=$whoami)<br />
$ cd /home/USER/gaussq1.0<br />
2. uninstall (DO NOT USE sudo !!! but insert password while uninstall progress, if needed)<br />
$ ./uninstall<br />
If you see 9 OKs, the uninstallation is completed.</p>
<p><span style="font-weight:bold;">RELEASE NOTES</span><br />
1.0<br />
-Compatible with Gaussian 03 in Personal computer<br />
-Only one job running, others are queued</p>
<p><span style="font-weight:bold;">COPYRIGHT</span><br />
As you see, this program files are not binary at all.<br />
You can edit, copy, forward, develop or whatever you want.<br />
But if it has some bugs, edit it by yourself and/or please let me know.</p>
<p><span style="font-weight:bold;">DOWNLOAD</span></p>
<p><strong><a href="http://gangurru.googlepages.com/GaussQ1.0_Ubuntu.zip">GaussQ1.0 for Ubuntu</a></strong></p>
<p><strong><a href="http://gangurru.googlepages.com/GaussQ1.0_SuSE.zip">GaussQ1.0 for SuSE</a></strong></p>
<p><span style="font-weight:bold;">GAUSSQ 1.1 project</span><br />
-an update command<br />
-fix bug about .rwf files when queue is deleted<br />
-showq about deleted queues<br />
-logq about scan Erem, &#8230; all job type</p>
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			<media:title type="html">gangurru</media:title>
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	</item>
		<item>
		<title>AOMIX</title>
		<link>http://gangurru.wordpress.com/2008/07/18/aomix/</link>
		<comments>http://gangurru.wordpress.com/2008/07/18/aomix/#comments</comments>
		<pubDate>Fri, 18 Jul 2008 05:09:00 +0000</pubDate>
		<dc:creator>gangurru</dc:creator>
				<category><![CDATA[Computational Chemistry]]></category>
		<category><![CDATA[AOMIX]]></category>

		<guid isPermaLink="false">http://gangurru.wordpress.com/2008/07/18/aomix/</guid>
		<description><![CDATA[AOMIXPAR.txt
DOS
0 5 0.5 0.05 0.5

1. aomix.exe
-use FILE.dat for MO sections
3
0 1 97 -2
SWNT1
0 98 132 -2
DPPYBF
0 133 229 -2
SWNT2

2. aomix-s.exe
       <img alt="" border="0" src="http://stats.wordpress.com/b.gif?host=gangurru.wordpress.com&blog=4366785&post=5&subd=gangurru&ref=&feed=1" />]]></description>
			<content:encoded><![CDATA[<div class='snap_preview'><br /><p>AOMIXPAR.txt<br />
DOS<br />
0 5 0.5 0.05 0.5<br />
<span><br />
<span style="font-weight:bold;">1. aomix.exe</span><br />
-use FILE.dat for MO sections</p>
<blockquote><p>3<br />
0 1 97 -2<br />
SWNT1<br />
0 98 132 -2<br />
DPPYBF<br />
0 133 229 -2<br />
SWNT2</p></blockquote>
<p></span></p>
<p><span style="font-weight:bold;">2. aomix-s.exe</span></p>
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			<media:title type="html">gangurru</media:title>
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