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Last post | ||
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SMP version of aoforce
Started by antti_karttunen |
1 Replies
6675 Views |
January 20, 2011, 02:29:05 PMby christof.haettig |
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Strange Hessian Format
Started by basklau |
0 Replies
6674 Views |
August 07, 2008, 09:30:31 AM by basklau |
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1 Replies
6485 Views |
May 17, 2011, 10:08:08 AM by uwe |
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Raman intensities with MP2
Started by peiden |
1 Replies
6484 Views |
August 11, 2011, 06:06:32 PM by christof.haettig |
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HESSIAN for guess
Started by jbaltrus |
0 Replies
6316 Views |
June 06, 2009, 04:15:39 AM by jbaltrus |
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Stubborn imaginary frequency
Started by marand |
12 Replies
6286 Views |
April 14, 2021, 11:45:54 AM by marand |
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1 Replies
6217 Views |
July 20, 2010, 06:02:28 PM by christof.haettig |
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0 Replies
6139 Views |
June 07, 2011, 12:41:10 PM by martijn |
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dipole derivatives in normal modes
Started by olga |
1 Replies
6107 Views |
January 28, 2014, 02:43:53 PM by mike |
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2 Replies
6035 Views |
April 05, 2016, 04:05:34 PM by naustin1 |
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3 Replies
6005 Views |
April 21, 2015, 01:48:43 PM by bogac |
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include hessian in reoptimization
Started by greisen |
0 Replies
5974 Views |
October 16, 2011, 07:45:03 PM by greisen |
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Terahertz spectroscopy
Started by yeilkim23 |
4 Replies
5886 Views |
March 21, 2017, 11:16:36 AM by christof.haettig |
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aoforce with cosmo solvatation model?
Started by inozerox |
2 Replies
5874 Views |
December 27, 2014, 07:50:37 AM by inozerox |
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Restart Numforce (a bit complicated case)
Started by evgeniy |
0 Replies
5855 Views |
September 05, 2011, 07:11:03 PM by evgeniy |
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Numforce MP2 for high temperatures
Started by Stegi |
2 Replies
5790 Views |
May 23, 2013, 05:03:23 PM by Stegi |
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4 Replies
5787 Views |
May 07, 2020, 12:46:27 PM by baishaotao |
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0 Replies
5651 Views |
July 10, 2012, 08:58:16 PM by jbaltrus |
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double displacement for NumForce
Started by amavr78 |
2 Replies
5517 Views |
January 13, 2014, 10:54:11 AM by amavr78 |
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Aoforce on linear CO2 - No degeneracy?
Started by Hauke |
1 Replies
5442 Views |
July 16, 2013, 11:54:18 AM by uwe |
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