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Constrained optimization
Started by sfomine |
0 Replies
5682 Views |
October 11, 2012, 05:37:19 AMby sfomine |
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No convergence with COSMO-RS
Started by mwoch |
0 Replies
5728 Views |
December 04, 2013, 02:28:04 PM by mwoch |
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Problem finding local minium
Started by Turboooo |
2 Replies
5886 Views |
April 19, 2013, 09:07:20 AM by Turboooo |
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1 Replies
5935 Views |
April 03, 2012, 11:54:26 AM by uwe |
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1 Replies
6032 Views |
February 06, 2017, 09:44:50 AM by gunnar.schmitz |
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1 Replies
6101 Views |
April 03, 2012, 11:49:27 AM by uwe |
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1 Replies
6105 Views |
October 07, 2016, 02:18:45 PM by christof.haettig |
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0 Replies
6140 Views |
August 12, 2013, 05:47:11 PM by holyriver6 |
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1 Replies
6290 Views |
February 09, 2016, 09:36:09 AM by Arnim |
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0 Replies
6297 Views |
October 05, 2009, 04:04:43 PM by evgeniy |
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0 Replies
6310 Views |
October 08, 2009, 06:16:38 PM by evgeniy |
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0 Replies
6346 Views |
June 19, 2009, 11:21:01 AM by evgeniy |
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jobex with peecm error in rdgrad step
Started by flabia |
2 Replies
6348 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
6400 Views |
April 27, 2012, 12:27:37 PM by uwe |
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Optimization failed in excited state
Started by wuhen |
1 Replies
6415 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
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Running PES scan in parallel with scanprep
Started by Jerry |
1 Replies
6453 Views |
September 30, 2015, 03:13:31 PM by christof.haettig |
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1 Replies
6504 Views |
July 26, 2010, 12:36:21 PM by Arnim |
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Perrhenate, ECP, B3LYP
Started by wilhelm |
1 Replies
6519 Views |
April 26, 2011, 04:23:13 PM by Arnim |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6547 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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how to find global minimum?
Started by jitmukherjeechem |
0 Replies
6595 Views |
June 20, 2012, 02:43:31 PM by jitmukherjeechem |
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