Subject / Started by | Replies / Views | Last post | ||
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EDD visualization
Started by valienpo |
4 Replies
4369 Views |
February 28, 2019, 02:36:47 PM by valienpo |
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1 Replies
4190 Views |
August 26, 2021, 10:07:16 AM by Arnim |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
4117 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
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6 Replies
4091 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
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Electrostatic potential
Started by djelenfi |
2 Replies
3961 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3794 Views |
December 02, 2021, 04:59:06 PM by max_sam |
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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3737 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
3632 Views |
May 14, 2022, 10:18:52 PM by uwe |
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0 Replies
3509 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
3433 Views |
February 27, 2019, 08:21:44 PM by uwe |
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2 Replies
3326 Views |
May 31, 2023, 12:33:41 PM by Dempsey |
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freeH partition function calculation
Started by Dempsey |
3 Replies
3262 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
3244 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
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