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2 Replies
1876 Views |
![]() by glebreto |
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Very slow RDGRAD
Started by Michael_Patzschke |
5 Replies
7330 Views |
![]() by yannickf |
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Synchronous optimization
Started by Amin |
2 Replies
7074 Views |
![]() by Amin |
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0 Replies
4408 Views |
![]() by djelenfi |
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x2t works incorrectly
Started by Michael_Patzschke |
2 Replies
11424 Views |
![]() by uwe |
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1 Replies
12537 Views |
![]() by flzheng525 |
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1 Replies
11411 Views |
![]() by uwe |
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1 Replies
12437 Views |
![]() by Arnim |
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Thermostat usage in Molecular dynamics
Started by JakubV |
1 Replies
11686 Views |
![]() by Arnim |
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Gradient Convergence Control
Started by Dempsey |
0 Replies
11324 Views |
![]() by Dempsey |
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dipole moment from MD run
Started by sruta |
0 Replies
10989 Views |
![]() by sruta |
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ERROR in convgrep step
Started by martijn |
2 Replies
12669 Views |
![]() by martijn |
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1 Replies
13246 Views |
![]() by prasanta13 |
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UFF with external electric field
Started by JakubV |
0 Replies
10785 Views |
![]() by JakubV |
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2 Replies
12921 Views |
![]() by Arnim |
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2 Replies
15163 Views |
![]() by JakubV |
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2 Replies
12971 Views |
![]() by Krzmbrzl |
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8 Replies
19357 Views |
![]() by uwe |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
11650 Views |
![]() by dw1032 |
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Pointing jobex to use ridft_smp
Started by jfurness |
2 Replies
12774 Views |
![]() by jfurness |
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