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Constrained optimization
Started by sfomine |
0 Replies
5502 Views |
October 11, 2012, 05:37:19 AMby sfomine |
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No convergence with COSMO-RS
Started by mwoch |
0 Replies
5533 Views |
December 04, 2013, 02:28:04 PM by mwoch |
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Problem finding local minium
Started by Turboooo |
2 Replies
5691 Views |
April 19, 2013, 09:07:20 AM by Turboooo |
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1 Replies
5764 Views |
April 03, 2012, 11:54:26 AM by uwe |
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0 Replies
5830 Views |
October 08, 2009, 06:16:38 PM by evgeniy |
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0 Replies
5831 Views |
October 05, 2009, 04:04:43 PM by evgeniy |
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1 Replies
5842 Views |
February 06, 2017, 09:44:50 AM by gunnar.schmitz |
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0 Replies
5874 Views |
June 19, 2009, 11:21:01 AM by evgeniy |
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1 Replies
5924 Views |
April 03, 2012, 11:49:27 AM by uwe |
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1 Replies
5943 Views |
October 07, 2016, 02:18:45 PM by christof.haettig |
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Optimization failed in excited state
Started by wuhen |
1 Replies
5952 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
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0 Replies
5954 Views |
August 12, 2013, 05:47:11 PM by holyriver6 |
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1 Replies
6036 Views |
July 26, 2010, 12:36:21 PM by Arnim |
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Perrhenate, ECP, B3LYP
Started by wilhelm |
1 Replies
6049 Views |
April 26, 2011, 04:23:13 PM by Arnim |
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1 Replies
6100 Views |
February 09, 2016, 09:36:09 AM by Arnim |
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jobex with peecm error in rdgrad step
Started by flabia |
2 Replies
6175 Views |
December 12, 2011, 09:25:09 AM by flabia |
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RDGRAD Failing in SMP with RIJK
Started by tjmustard |
1 Replies
6219 Views |
April 27, 2012, 12:27:37 PM by uwe |
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0 Replies
6229 Views |
June 30, 2009, 07:29:34 AM by Guangyue |
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Running PES scan in parallel with scanprep
Started by Jerry |
1 Replies
6292 Views |
September 30, 2015, 03:13:31 PM by christof.haettig |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6358 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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