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ERROR in convgrep step
Started by martijn |
2 Replies
3462 Views |
November 23, 2021, 11:44:57 PMby martijn |
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Error in gradient step
Started by marand |
4 Replies
12949 Views |
November 17, 2016, 05:31:26 PM by christof.haettig |
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3 Replies
9571 Views |
October 06, 2016, 06:01:46 PM by christof.haettig |
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Excited state optimization
Started by Beverly |
5 Replies
13076 Views |
July 24, 2010, 06:29:00 AM by jbaltrus |
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1 Replies
7736 Views |
January 11, 2009, 12:58:30 PM by christof.haettig |
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4 Replies
15086 Views |
January 24, 2007, 02:32:39 AM by someseesee |
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faults in run with jobbsse
Started by Jandir |
5 Replies
8370 Views |
March 24, 2014, 02:46:01 PM by Jandir |
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finding saddle points with jobex -trans
Started by lsikk |
3 Replies
12076 Views |
May 01, 2007, 11:34:27 AM by antti_karttunen |
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FROG module
Started by Olynes |
1 Replies
6881 Views |
January 16, 2015, 10:03:44 AM by uwe |
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Frozen Optimization
Started by lanjh |
1 Replies
7659 Views |
May 26, 2008, 11:30:25 AM by uwe |
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1 Replies
5915 Views |
April 03, 2012, 11:49:27 AM by uwe |
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Geometry optimization of an excited state
Started by dbk80 |
1 Replies
6490 Views |
October 12, 2016, 10:23:09 AM by dbk80 |
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2 Replies
7723 Views |
May 05, 2011, 10:08:10 AM by uwe |
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4 Replies
7635 Views |
December 29, 2014, 09:23:44 PM by uwe |
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3 Replies
7594 Views |
March 26, 2019, 10:06:34 AM by uwe |
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2 Replies
10054 Views |
August 22, 2007, 02:30:01 PM by antti_karttunen |
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Gradient Convergence Control
Started by Dempsey |
0 Replies
3188 Views |
April 07, 2022, 12:16:05 PM by Dempsey |
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1 Replies
2668 Views |
February 04, 2024, 08:34:55 PM by flzheng525 |
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1 Replies
5421 Views |
April 01, 2016, 01:43:21 PM by Arnim |
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1 Replies
5754 Views |
April 03, 2012, 11:54:26 AM by uwe |
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