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Visualization
Started by Gopakumar |
2 Replies
9959 Views |
January 22, 2007, 02:17:44 PMby antti_karttunen |
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Generating .plt file
Started by dps17 |
2 Replies
7852 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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atomic electron density
Started by dinos |
1 Replies
7002 Views |
May 10, 2007, 11:08:55 PM by turbomaster |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8255 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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Dipolcalculations using moloch
Started by Stefan |
0 Replies
5622 Views |
September 25, 2007, 04:01:20 PM by Stefan |
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readable RIMP2 spin density
Started by tom77 |
1 Replies
6327 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
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TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9370 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
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LCAO coefficients
Started by Gopakumar |
0 Replies
6121 Views |
December 13, 2007, 11:37:28 AM by Gopakumar |
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quadrupole moments
Started by a.karl |
1 Replies
10343 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7857 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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option -proper
Started by arek1arek |
3 Replies
9553 Views |
March 14, 2008, 05:30:48 PM by uwe |
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differential density
Started by arek1arek |
1 Replies
8295 Views |
March 27, 2008, 08:10:36 PM by arek1arek |
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calculating charges on excited state
Started by sv |
1 Replies
7090 Views |
April 15, 2008, 04:40:56 PM by christof.haettig |
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1 Replies
8650 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
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Localization of virtual orbitals
Started by Matteo Guglielmi |
7 Replies
15493 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
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Generate WFN file
Started by scope |
2 Replies
16957 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
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5 Replies
11545 Views |
June 04, 2008, 11:43:10 AM by uwe |
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wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
5972 Views |
June 06, 2008, 01:48:49 AM by wwwups |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7244 Views |
June 26, 2008, 11:23:30 AM by antti_karttunen |
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questions on t2x
Started by zhangustc |
5 Replies
10524 Views |
July 02, 2008, 10:54:54 AM by martijn |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
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