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core-dump with aforce, TURBOMOLE v.6.0
Started by sassy |
4 Replies
8876 Views |
December 22, 2009, 05:06:44 PMby uwe |
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too many negative wave numbers
Started by ekirillov |
1 Replies
7039 Views |
November 13, 2009, 10:10:27 AM by uwe |
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Unit of displacements in TURBOMOLE
Started by basklau |
7 Replies
10128 Views |
November 09, 2009, 05:47:59 PM by uwe |
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6 Replies
10909 Views |
October 11, 2009, 11:36:04 AM by evgeniy |
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General: Aoforce & Numforce
Started by milianb |
1 Replies
7435 Views |
July 20, 2009, 11:08:56 AM by Arnim |
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aoforce produces segmentations fault
Started by basklau |
5 Replies
9193 Views |
June 18, 2009, 03:55:48 PM by basklau |
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4 Replies
9667 Views |
June 08, 2009, 09:44:24 AM by uwe |
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HESSIAN for guess
Started by jbaltrus |
0 Replies
6282 Views |
June 06, 2009, 04:15:39 AM by jbaltrus |
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aoforce parallelized?
Started by Matteo Guglielmi |
3 Replies
9596 Views |
April 07, 2009, 12:54:39 AM by Matteo Guglielmi |
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parallel NumForce no speed up
Started by basklau |
1 Replies
7233 Views |
March 27, 2009, 02:46:41 PM by christof.haettig |
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TPSS calculation for vibratioanl freqency
Started by lyzhu |
2 Replies
9171 Views |
January 14, 2009, 04:38:35 PM by lyzhu |
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2 Replies
8450 Views |
November 23, 2008, 08:37:12 PM by uwe |
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0 Replies
6917 Views |
October 30, 2008, 03:58:40 PM by twoo@uottawa.ca |
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2 Replies
9413 Views |
October 25, 2008, 05:46:57 AM by dlchen |
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frequency analysis internal coordinates
Started by acapobia |
6 Replies
11924 Views |
October 16, 2008, 11:26:16 AM by uwe |
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1 Replies
7262 Views |
September 09, 2008, 09:17:24 AM by antti_karttunen |
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NumForce -- view Frequencies in molden
Started by basklau |
3 Replies
9596 Views |
August 08, 2008, 07:29:32 AM by antti_karttunen |
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Strange Hessian Format
Started by basklau |
0 Replies
6640 Views |
August 07, 2008, 09:30:31 AM by basklau |
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aoforce scratch files
Started by jaime |
2 Replies
7985 Views |
July 10, 2008, 10:56:34 PM by christof.haettig |
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problems with NumForce for excited states
Started by smky77 |
0 Replies
7300 Views |
April 28, 2008, 04:57:01 PM by smky77 |
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