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Fragment Multiplicity
Started by Ian K |
0 Replies
22351 Views |
August 17, 2010, 10:21:44 PMby Ian K |
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gridsize and scfconv
Started by mboehme |
1 Replies
22587 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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3 Replies
22652 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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2 Replies
23175 Views |
July 16, 2014, 11:12:11 AM by evgeniy |
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setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
23304 Views |
November 24, 2009, 10:48:02 AM by christof.haettig |
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Using define without changing angles
Started by AndrijaG |
1 Replies
23460 Views |
October 06, 2016, 05:51:18 PM by christof.haettig |
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The use command
Started by Sam483 |
2 Replies
23582 Views |
January 15, 2013, 12:09:47 PM by Arnim |
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problem in ired
Started by jitmukherjeechem |
3 Replies
23646 Views |
May 22, 2012, 09:55:54 AM by Arnim |
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Auxilary (cbas
Started by evgeniy |
1 Replies
23788 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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ired problem
Started by 175116 |
3 Replies
23859 Views |
November 06, 2010, 09:21:06 PM by 175116 |
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0 Replies
23898 Views |
September 04, 2010, 02:28:33 PM by wuhen |
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Starting mos for supermolecule
Started by Robin1991 |
1 Replies
24190 Views |
December 21, 2024, 10:32:12 PM by uwe |
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desy and eps units
Started by lopez |
1 Replies
24332 Views |
May 06, 2009, 09:07:55 PM by andreas |
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start mos without define
Started by tmartin |
1 Replies
24499 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
24546 Views |
May 16, 2017, 04:21:20 PM by Arnim |
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1 Replies
24585 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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1 Replies
24737 Views |
February 16, 2015, 02:29:57 PM by uwe |
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frozen core and full core calculations
Started by golden |
4 Replies
25063 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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Turbomole parallel error
Started by kshatresh |
1 Replies
25075 Views |
February 01, 2018, 03:56:34 PM by uwe |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
25079 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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