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Error in gradient step
Started by marand |
4 Replies
12858 Views |
November 17, 2016, 05:31:26 PMby christof.haettig |
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Excited state optimization
Started by Beverly |
5 Replies
12989 Views |
July 24, 2010, 06:29:00 AM by jbaltrus |
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12 Replies
13408 Views |
May 01, 2014, 08:55:56 PM by evgeniy |
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5 Replies
14502 Views |
April 17, 2012, 02:42:39 PM by antti_karttunen |
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4 Replies
14934 Views |
January 24, 2007, 02:32:39 AM by someseesee |
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8 Replies
15588 Views |
May 09, 2008, 05:22:57 PM by uwe |
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counterpoise calculation with jobBSSE
Started by marcel |
6 Replies
16246 Views |
October 06, 2016, 05:44:48 PM by christof.haettig |
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Optimized geometry
Started by 175116 |
6 Replies
17553 Views |
May 07, 2013, 08:47:07 PM by Turboooo |
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