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		<title><![CDATA[Multiwfn forum / doubt about programing algorithm called "on grid method"]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=819</link>
		<description><![CDATA[The most recent posts in doubt about programing algorithm called "on grid method".]]></description>
		<lastBuildDate>Wed, 26 Apr 2023 17:57:59 +0000</lastBuildDate>
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			<title><![CDATA[Re: doubt about programing algorithm called "on grid method"]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=3124#p3124</link>
			<description><![CDATA[<p>sorry is basin, I corrected it, oooo now I understand, thanks for your support i will train use a smaller grid spacing</p>]]></description>
			<author><![CDATA[dummy@example.com (choconostle123)]]></author>
			<pubDate>Wed, 26 Apr 2023 17:57:59 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=3124#p3124</guid>
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			<title><![CDATA[Re: doubt about programing algorithm called "on grid method"]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=3123#p3123</link>
			<description><![CDATA[<p>Do you mean basin? Basin and basis have quite different meanings.</p><p>The only way of improving accuracy (or decreasing the difference of result for equivalent atoms) under the framework of on-grid algorithm is using a smaller grid spacing. The result difference of the two atoms cannot be fully eliminated (unless you employ a special grid distribution, which is fully in line with molecular symmetry)</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Wed, 26 Apr 2023 15:05:54 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=3123#p3123</guid>
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			<title><![CDATA[doubt about programing algorithm called "on grid method"]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=3122#p3122</link>
			<description><![CDATA[<p>hello everyone, i am learning to programing the algorithm called &quot;on-grid method&quot; to generate the basin, but i have a problem</p><p>i use the wave function of hydrogen molecule </p><p>my algorithm&#160; correctly assigns most of the points to the basin of the hydrogen 1 and hydrogen 2 (the bcp is at (0,0,0), and my nuclear attractors in (0,0,+-0.584)) but in the plane xy where is the bond critical point (points like (0,2,0) (2,2,0) (1.8,2,0)) these kind of points are assigned to the basis of hydrogen 1 so when i want to integrating the density, the density in the basin of hydrogen 1 has major density than basis of hydrogen 2 because if use 41 points of size&#160; in the end of my&#160; algorithm hydrogen1 has 36141 points in the basin and hydrogen2&#160; 34460 </p><p>so i don&#039;t know wath to do for improving my algorithm&#160; <img src="http://sobereva.com/wfnbbs/img/smilies/sad.png" width="15" height="15" alt="sad" /></p>]]></description>
			<author><![CDATA[dummy@example.com (choconostle123)]]></author>
			<pubDate>Wed, 26 Apr 2023 01:15:06 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=3122#p3122</guid>
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