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2 Replies
75171 Views |
March 27, 2026, 06:50:21 PMby Amin |
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0 Replies
18320 Views |
March 27, 2026, 03:49:36 PM by Amin |
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Plish in gradient step?
Started by avsfan92 |
2 Replies
33724 Views |
February 05, 2026, 04:22:05 PM by avsfan92 |
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Point Multipole Embedding for Gradients
Started by aaa16797 |
0 Replies
30007 Views |
January 13, 2026, 11:00:23 AM by aaa16797 |
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DFT-D4 dispersion for heavy elements
Started by arturosauza |
6 Replies
70170 Views |
December 28, 2025, 05:35:05 AM by arturosauza |
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oribital swap in conventional DFT
Started by acd81 |
0 Replies
44190 Views |
October 09, 2025, 09:10:07 AM by acd81 |
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No HF exchange in 2c-rdgrad(GA)
Started by januszc |
2 Replies
55057 Views |
June 21, 2025, 07:23:24 PM by januszc |
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1 Replies
48588 Views |
June 12, 2025, 10:34:05 PM by chris.hol |
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1 Replies
51194 Views |
March 27, 2025, 06:58:12 PM by uwe |
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2 Replies
64460 Views |
February 12, 2025, 05:20:32 PM by tingst2 |
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R2SCAN-3C Functionals
Started by johanneswerner |
1 Replies
50514 Views |
January 23, 2025, 09:59:37 PM by uwe |
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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
9 Replies
124700 Views |
July 03, 2024, 06:35:23 PM by rusakov |
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undocumented option for DFT-NL
Started by acd81 |
7 Replies
95818 Views |
June 11, 2024, 10:22:31 AM by acd81 |
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3 Replies
68013 Views |
May 13, 2024, 04:43:58 PM by yannickf |
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two-electron integrals
Started by Dawood234 |
0 Replies
50661 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
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5 Replies
82400 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
64497 Views |
March 13, 2024, 10:02:35 PM by uwe |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
80391 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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1 Replies
65535 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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2 Replies
56958 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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