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		<title><![CDATA[Multiwfn forum / Incorrect atoms labeling in CPprop.txt]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=1828</link>
		<description><![CDATA[The most recent posts in Incorrect atoms labeling in CPprop.txt.]]></description>
		<lastBuildDate>Fri, 22 May 2026 10:44:59 +0000</lastBuildDate>
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			<title><![CDATA[Re: Incorrect atoms labeling in CPprop.txt]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5681#p5681</link>
			<description><![CDATA[<p>OK, thank you so much for your quick reply and for your help!</p>]]></description>
			<author><![CDATA[dummy@example.com (joshuabohr)]]></author>
			<pubDate>Fri, 22 May 2026 10:44:59 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5681#p5681</guid>
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			<title><![CDATA[Re: Incorrect atoms labeling in CPprop.txt]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5680#p5680</link>
			<description><![CDATA[<p>Hello,</p><p>I cannot reproduce this issue via latest windows version of Multiwfn. The result of Windows version looks reasonable:</p><div class="codebox"><pre><code> ----------------   CP     4,     Type (3,-1)   ----------------
 Connected atoms:     2(Cl)   --     1(Cu)
 Position (Bohr):       -0.000000000000    0.000000000000    1.831754409989
 Position (Angstrom):   -0.000000000000    0.000000000000    0.969322689737
 Density of all electrons:  0.8877069959E-01
 Density of Alpha electrons:  0.4419502095E-01</code></pre></div><p>MacOS version of Multiwfn is not officially maintained, perhaps the third-part MacOS code or compiler has some compatibility issues. As I am not a MacOS user, I can&#039;t help you with this problem, sorry. However, if the MacOS version was compiled yourself, you can search &quot;Connected atoms:&quot; in topology.f90 source code file, and try to modify the corresponding code line to try to address this issue, I think it is not difficult.</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Thu, 21 May 2026 19:57:09 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5680#p5680</guid>
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		<item>
			<title><![CDATA[Incorrect atoms labeling in CPprop.txt]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5679#p5679</link>
			<description><![CDATA[<p>Good morning! I am writing to report a bug I have encountered in version 3.8 of Multiwfn. When performing a topology analysis (specifically the search for critical points), the resulting output file, CPprop.txt, incorrectly names some of the critical points.</p><p>In my case, as the molecule interacts with a chloride anion, there are critical points between hydrogen atoms and the chlorine atom.</p><p>If the first atom listed is the hydrogen atom, the description begins as follows:</p><p>```<br /> ----------------&#160; &#160;CP&#160; &#160;246,&#160; &#160; &#160;Type (3,-1)&#160; &#160;----------------<br /> Connected atoms:&#160; &#160; 62(H&#160; &#160;--&#160; &#160;118(Cl<br />```</p><p>If the first atom listed is the chlorine atom, however, the description begins as follows:</p><p>```<br /> ----------------&#160; &#160;CP&#160; &#160;287,&#160; &#160; &#160;Type (3,-1)&#160; &#160;----------------<br /> Connected atoms:&#160; &#160;118(C&#160; &#160;--&#160; &#160; 21(H<br />```</p><p>I don’t know if it’s been fixed in the latest version; as I’m on macOS, I haven’t been able to try it yet. </p><p>Thank you so much for all your hard work!</p>]]></description>
			<author><![CDATA[dummy@example.com (joshuabohr)]]></author>
			<pubDate>Thu, 21 May 2026 09:35:49 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5679#p5679</guid>
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