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two-electron integrals
Started by Dawood234 |
0 Replies
112 Views |
May 10, 2024, 06:29:50 PMby Dawood234 |
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5 Replies
3932 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
2422 Views |
March 13, 2024, 10:02:35 PM by uwe |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
2888 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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1 Replies
3458 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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1 Replies
3292 Views |
December 23, 2023, 11:28:27 AM by yannickf |
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2 Replies
3420 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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1 Replies
3370 Views |
July 10, 2023, 07:22:01 PM by uwe |
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0 Replies
3271 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
3649 Views |
February 18, 2023, 02:10:36 AM by JakubV |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
4292 Views |
May 16, 2022, 12:30:38 PM by mradon |
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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
3 Replies
4132 Views |
May 02, 2022, 08:58:50 PM by uwe |
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2 Replies
4259 Views |
March 08, 2022, 05:40:47 AM by prasanta13 |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
4799 Views |
March 03, 2022, 11:25:09 AM by Arnim |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4043 Views |
March 02, 2022, 10:45:32 AM by uwe |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
4270 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
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2 Replies
4276 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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0 Replies
4043 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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0 Replies
4283 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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Energy decomposition analysis (EDA)
Started by sareeya |
1 Replies
7650 Views |
July 31, 2021, 05:26:27 PM by prasanta13 |
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