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Pointing jobex to use ridft_smp
Started by jfurness |
2 Replies
4579 Views |
August 26, 2020, 06:41:06 PMby jfurness |
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Problem finding local minium
Started by Turboooo |
2 Replies
5726 Views |
April 19, 2013, 09:07:20 AM by Turboooo |
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problem with "jobex -ex"
Started by kankanxiaoya |
1 Replies
6665 Views |
December 09, 2011, 09:00:35 AM by uwe |
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1 Replies
8005 Views |
July 02, 2008, 05:36:20 PM by uwe |
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problems with jobex convcheck.f
Started by annaamat |
1 Replies
9246 Views |
March 25, 2008, 11:18:08 AM by uwe |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7519 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
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RDGRAD Failing in SMP with RIJK
Started by tjmustard |
1 Replies
6253 Views |
April 27, 2012, 12:27:37 PM by uwe |
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1 Replies
2851 Views |
December 17, 2023, 11:18:13 PM by uwe |
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1 Replies
6148 Views |
July 26, 2010, 12:36:21 PM by Arnim |
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1 Replies
7685 Views |
January 11, 2009, 12:17:23 PM by christof.haettig |
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Running PES scan in parallel with scanprep
Started by Jerry |
1 Replies
6317 Views |
September 30, 2015, 03:13:31 PM by christof.haettig |
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0 Replies
6626 Views |
September 09, 2008, 10:48:09 PM by Alex2007 |
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shortage of memory!
Started by jitmukherjeechem |
0 Replies
5093 Views |
June 14, 2012, 05:46:36 PM by jitmukherjeechem |
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Simulated Annealing
Started by Gopakumar |
2 Replies
10446 Views |
April 12, 2007, 01:11:31 PM by Gopakumar |
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1 Replies
9255 Views |
January 07, 2008, 08:36:09 AM by christof.haettig |
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12 Replies
13638 Views |
May 01, 2014, 08:55:56 PM by evgeniy |
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temperature in molecular dynamics
Started by LLeppert |
1 Replies
6573 Views |
February 09, 2012, 03:27:09 PM by Arnim |
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Thermostat usage in Molecular dynamics
Started by JakubV |
1 Replies
3199 Views |
January 13, 2023, 11:10:39 AM by Arnim |
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Triplet state optimization
Started by Beverly |
7 Replies
12182 Views |
October 02, 2008, 01:56:06 PM by Arnim |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
6838 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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