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frequency analysis internal coordinates
Started by acapobia |
6 Replies
18104 Views |
October 16, 2008, 11:26:16 AMby uwe |
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Aoforce restart?
Started by agnesst |
2 Replies
11206 Views |
October 01, 2020, 03:14:47 PM by agnesst |
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anharmonic vibration
Started by aleguti1987 |
0 Replies
9286 Views |
April 24, 2013, 02:13:34 PM by aleguti1987 |
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Numforce results in zero hessian
Started by Alex_V |
2 Replies
11557 Views |
January 02, 2014, 01:50:05 PM by Arnim |
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double displacement for NumForce
Started by amavr78 |
2 Replies
10187 Views |
January 13, 2014, 10:54:11 AM by amavr78 |
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6 Replies
21400 Views |
March 19, 2008, 07:39:55 PM by Arrepiadd |
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1 Replies
16440 Views |
March 13, 2007, 09:51:46 AM by christof.haettig |
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SMP version of aoforce
Started by antti_karttunen |
1 Replies
10875 Views |
January 20, 2011, 02:29:05 PM by christof.haettig |
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Hybrid RI-DFT and aoforce
Started by antti_karttunen |
3 Replies
15232 Views |
February 19, 2014, 10:46:19 PM by uwe |
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4 Replies
13153 Views |
May 07, 2020, 12:46:27 PM by baishaotao |
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NumForce -- view Frequencies in molden
Started by basklau |
3 Replies
15657 Views |
August 08, 2008, 07:29:32 AM by antti_karttunen |
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parallel NumForce no speed up
Started by basklau |
1 Replies
11716 Views |
March 27, 2009, 02:46:41 PM by christof.haettig |
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2 Replies
11770 Views |
January 28, 2014, 02:46:14 PM by mike |
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Strange Hessian Format
Started by basklau |
0 Replies
10901 Views |
August 07, 2008, 09:30:31 AM by basklau |
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aoforce produces segmentations fault
Started by basklau |
5 Replies
14987 Views |
June 18, 2009, 03:55:48 PM by basklau |
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Unit of displacements in TURBOMOLE
Started by basklau |
7 Replies
16274 Views |
November 09, 2009, 05:47:59 PM by uwe |
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6 Replies
23086 Views |
May 10, 2010, 11:05:21 AM by uwe |
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1 Replies
10864 Views |
March 24, 2024, 06:02:29 PM by christof.haettig |
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3 Replies
11269 Views |
April 21, 2015, 01:48:43 PM by bogac |
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0 Replies
8416 Views |
November 29, 2012, 04:42:09 PM by cediev87 |
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