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Optimized geometry
Started by 175116 |
6 Replies
17931 Views |
May 07, 2013, 08:47:07 PMby Turboooo |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6533 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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Problem finding local minium
Started by Turboooo |
2 Replies
5876 Views |
April 19, 2013, 09:07:20 AM by Turboooo |
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2 Replies
6955 Views |
November 13, 2012, 02:45:05 PM by vvallet |
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Constrained optimization
Started by sfomine |
0 Replies
5669 Views |
October 11, 2012, 05:37:19 AM by sfomine |
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how to find global minimum?
Started by jitmukherjeechem |
0 Replies
6585 Views |
June 20, 2012, 02:43:31 PM by jitmukherjeechem |
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All CPU for jobex
Started by Lara |
0 Replies
5276 Views |
June 16, 2012, 05:15:49 PM by Lara |
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0 Replies
5217 Views |
June 16, 2012, 11:41:35 AM by jitmukherjeechem |
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shortage of memory!
Started by jitmukherjeechem |
0 Replies
5237 Views |
June 14, 2012, 05:46:36 PM by jitmukherjeechem |
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3 Replies
9865 Views |
May 16, 2012, 12:38:48 PM by antti_karttunen |
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RDGRAD Failing in SMP with RIJK
Started by tjmustard |
1 Replies
6390 Views |
April 27, 2012, 12:27:37 PM by uwe |
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5 Replies
14796 Views |
April 17, 2012, 02:42:39 PM by antti_karttunen |
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1 Replies
5923 Views |
April 03, 2012, 11:54:26 AM by uwe |
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1 Replies
6091 Views |
April 03, 2012, 11:49:27 AM by uwe |
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IRC (internal reaction coordinate)
Started by jbaltrus |
3 Replies
6770 Views |
March 17, 2012, 07:22:43 PM by Arnim |
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5 Replies
10184 Views |
March 07, 2012, 02:22:23 PM by antti_karttunen |
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temperature in molecular dynamics
Started by LLeppert |
1 Replies
6732 Views |
February 09, 2012, 03:27:09 PM by Arnim |
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how to stop the calculation
Started by golden |
4 Replies
10439 Views |
January 24, 2012, 04:50:47 PM by golden |
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1 Replies
7248 Views |
January 11, 2012, 10:07:33 PM by golden |
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jobex with peecm error in rdgrad step
Started by flabia |
2 Replies
6335 Views |
December 12, 2011, 09:25:09 AM by flabia |
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