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1 Replies
5849 Views |
February 06, 2017, 09:44:50 AMby gunnar.schmitz |
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Error in gradient step
Started by marand |
4 Replies
12980 Views |
November 17, 2016, 05:31:26 PM by christof.haettig |
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Geometry optimization of an excited state
Started by dbk80 |
1 Replies
6511 Views |
October 12, 2016, 10:23:09 AM by dbk80 |
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1 Replies
5950 Views |
October 07, 2016, 02:18:45 PM by christof.haettig |
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3 Replies
9612 Views |
October 06, 2016, 06:01:46 PM by christof.haettig |
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counterpoise calculation with jobBSSE
Started by marcel |
6 Replies
16355 Views |
October 06, 2016, 05:44:48 PM by christof.haettig |
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jobex results in molecule rotation
Started by luyj |
5 Replies
8809 Views |
September 07, 2016, 04:43:02 PM by uwe |
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Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
6768 Views |
April 02, 2016, 02:54:53 PM by inozerox |
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1 Replies
5439 Views |
April 01, 2016, 01:43:21 PM by Arnim |
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1 Replies
6104 Views |
February 09, 2016, 09:36:09 AM by Arnim |
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0 Replies
5255 Views |
January 22, 2016, 04:29:05 PM by uwe |
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2 Replies
6996 Views |
October 01, 2015, 10:58:48 AM by christof.haettig |
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Running PES scan in parallel with scanprep
Started by Jerry |
1 Replies
6293 Views |
September 30, 2015, 03:13:31 PM by christof.haettig |
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FROG module
Started by Olynes |
1 Replies
6896 Views |
January 16, 2015, 10:03:44 AM by uwe |
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4 Replies
7654 Views |
December 29, 2014, 09:23:44 PM by uwe |
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12 Replies
13568 Views |
May 01, 2014, 08:55:56 PM by evgeniy |
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faults in run with jobbsse
Started by Jandir |
5 Replies
8396 Views |
March 24, 2014, 02:46:01 PM by Jandir |
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how to know the total time in MD
Started by holyriver6 |
1 Replies
5147 Views |
March 17, 2014, 01:31:47 PM by Arnim |
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No convergence with COSMO-RS
Started by mwoch |
0 Replies
5536 Views |
December 04, 2013, 02:28:04 PM by mwoch |
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0 Replies
5958 Views |
August 12, 2013, 05:47:11 PM by holyriver6 |
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