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0 Replies
10016 Views |
September 14, 2025, 05:49:11 PMby rinatn |
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2 Replies
21618 Views |
April 30, 2025, 02:59:07 PM by glebreto |
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Very slow RDGRAD
Started by Michael_Patzschke |
5 Replies
34948 Views |
March 08, 2025, 01:09:42 AM by yannickf |
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Synchronous optimization
Started by Amin |
2 Replies
25939 Views |
January 07, 2025, 08:06:55 PM by Amin |
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0 Replies
18626 Views |
October 28, 2024, 02:18:04 PM by djelenfi |
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x2t works incorrectly
Started by Michael_Patzschke |
2 Replies
29991 Views |
June 09, 2024, 09:07:45 PM by uwe |
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1 Replies
28751 Views |
February 04, 2024, 08:34:55 PM by flzheng525 |
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1 Replies
27465 Views |
December 17, 2023, 11:18:13 PM by uwe |
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1 Replies
28747 Views |
January 13, 2023, 11:19:55 AM by Arnim |
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Thermostat usage in Molecular dynamics
Started by JakubV |
1 Replies
27228 Views |
January 13, 2023, 11:10:39 AM by Arnim |
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Gradient Convergence Control
Started by Dempsey |
0 Replies
23420 Views |
April 07, 2022, 12:16:05 PM by Dempsey |
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dipole moment from MD run
Started by sruta |
0 Replies
22841 Views |
February 14, 2022, 10:17:55 AM by sruta |
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ERROR in convgrep step
Started by martijn |
2 Replies
28200 Views |
November 23, 2021, 11:44:57 PM by martijn |
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1 Replies
27566 Views |
October 23, 2021, 11:53:50 AM by prasanta13 |
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UFF with external electric field
Started by JakubV |
0 Replies
22463 Views |
July 31, 2021, 11:20:39 PM by JakubV |
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2 Replies
28303 Views |
June 14, 2021, 04:40:04 PM by Arnim |
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2 Replies
30454 Views |
June 06, 2021, 12:23:03 AM by JakubV |
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2 Replies
28151 Views |
March 10, 2021, 11:46:49 AM by Krzmbrzl |
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8 Replies
45416 Views |
December 01, 2020, 06:41:36 PM by uwe |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
22093 Views |
August 31, 2020, 10:49:11 AM by dw1032 |
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