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Vibrational spectrum of first excited state
Started by luyj |
5 Replies
12035 Views |
January 08, 2018, 03:17:43 PMby Arnim |
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5 Replies
10745 Views |
July 21, 2016, 12:32:05 PM by mpjohans |
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4 Replies
5353 Views |
May 07, 2020, 12:46:27 PM by baishaotao |
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core-dump with aforce, TURBOMOLE v.6.0
Started by sassy |
4 Replies
8669 Views |
December 22, 2009, 05:06:44 PM by uwe |
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Difference between aoforce and NumForce
Started by kkyyllee |
4 Replies
8693 Views |
August 26, 2016, 04:02:44 PM by kkyyllee |
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skip gradient doesn;t work
Started by jbaltrus |
4 Replies
7377 Views |
March 17, 2012, 03:35:43 PM by jbaltrus |
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4 Replies
8070 Views |
February 14, 2013, 01:56:51 AM by Hauke |
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4 Replies
9444 Views |
June 08, 2009, 09:44:24 AM by uwe |
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4 Replies
7466 Views |
July 18, 2017, 07:12:25 PM by antti_karttunen |
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Terahertz spectroscopy
Started by yeilkim23 |
4 Replies
5817 Views |
March 21, 2017, 11:16:36 AM by christof.haettig |
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raman script
Started by martijn |
3 Replies
6823 Views |
October 25, 2019, 03:39:32 PM by martijn |
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parallel aoforce 6.3.1
Started by jbaltrus |
3 Replies
7033 Views |
June 28, 2011, 01:01:36 PM by Arnim |
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How to run aoforce in parallel?
Started by Tiuri |
3 Replies
10879 Views |
May 10, 2007, 11:13:31 PM by turbomaster |
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3 Replies
9787 Views |
March 23, 2007, 10:17:35 AM by Stephan |
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Problem in obtaining hessian file
Started by kmkumar |
3 Replies
8619 Views |
December 21, 2007, 06:23:57 PM by vvallet |
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3 Replies
5964 Views |
April 21, 2015, 01:48:43 PM by bogac |
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Hybrid RI-DFT and aoforce
Started by antti_karttunen |
3 Replies
10141 Views |
February 19, 2014, 10:46:19 PM by uwe |
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NumThird
Started by Michael_Patzschke |
3 Replies
3758 Views |
February 13, 2021, 10:01:09 PM by antti_karttunen |
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aoforce parallelized?
Started by Matteo Guglielmi |
3 Replies
9363 Views |
April 07, 2009, 12:54:39 AM by Matteo Guglielmi |
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NumForce -- view Frequencies in molden
Started by basklau |
3 Replies
9369 Views |
August 08, 2008, 07:29:32 AM by antti_karttunen |
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