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periodic boundary conditions
Started by asaf |
2 Replies
7624 Views |
August 29, 2011, 06:47:02 PMby pski |
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2 Replies
7699 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
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IRC calculation
Started by marcel |
0 Replies
7750 Views |
September 09, 2008, 10:28:17 PM by marcel |
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4 Replies
7789 Views |
December 29, 2014, 09:23:44 PM by uwe |
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Constrained optimizations
Started by gojimeo |
0 Replies
7813 Views |
October 29, 2007, 08:44:54 PM by gojimeo |
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3 Replies
7867 Views |
October 26, 2011, 02:49:23 PM by Ian K |
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2 Replies
7893 Views |
October 12, 2009, 03:55:55 PM by willows9803 |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7906 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
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using RI with hybrid functionals
Started by doguapo |
1 Replies
7913 Views |
August 06, 2010, 09:03:14 PM by uwe |
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0 Replies
7970 Views |
April 16, 2008, 02:19:34 PM by evgeniy |
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1 Replies
8023 Views |
January 11, 2009, 12:17:23 PM by christof.haettig |
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could not find file <uffhessian0-0>
Started by purplekey |
2 Replies
8131 Views |
September 27, 2008, 05:03:38 AM by purplekey |
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2 Replies
8161 Views |
January 12, 2011, 02:36:04 PM by amavr78 |
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2 Replies
8171 Views |
May 05, 2011, 10:08:10 AM by uwe |
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Frozen Optimization
Started by lanjh |
1 Replies
8172 Views |
May 26, 2008, 11:30:25 AM by uwe |
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1 Replies
8214 Views |
January 11, 2009, 12:58:30 PM by christof.haettig |
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Basic AIMD setup
Started by mpjohans |
1 Replies
8294 Views |
October 31, 2008, 03:43:11 PM by selliott |
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1 Replies
8352 Views |
July 02, 2008, 05:36:20 PM by uwe |
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3 Replies
8489 Views |
March 26, 2019, 10:06:34 AM by uwe |
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faults in run with jobbsse
Started by Jandir |
5 Replies
8537 Views |
March 24, 2014, 02:46:01 PM by Jandir |
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