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Topic	Forum	Last post
1 Difficulty with QM/MM optimization by gruszeck	Newbie Corner	Yesterday 00:27:15 by gruszeck
2 Spin-Orbital Coupling in RASSI by Sihan Zhang	Running Calculations	2025-05-23 23:38:44 by Sihan Zhang
3 RAES for symmetric molecules by muchovae	Running Calculations	2025-05-14 13:55:42 by muchovae
4 How to compute crystal-field parametes and decompositions of Ln^{2/3+} by liujie2022	Newbie Corner	2025-05-10 01:47:53 by liujie2022
5 SCF does not do zero-iteration calculation - a bug maybe? by andrewshyichuk	Running Calculations	2025-04-29 13:12:15 by andrewshyichuk
6 Odd behaviour of embedding AIMPs by andrewshyichuk	Running Calculations	2025-04-18 19:09:19 by andrewshyichuk
7 The MCLR setting parameter does not work by lwang	Running Calculations	2025-04-17 03:28:51 by lwang
8 CASSCF optimizes track reading issues by lwang	Running Calculations	2025-04-11 13:35:36 by lwang
9 Compile run CASPT2 error in parallel by lwang	Running Calculations	2025-04-08 12:03:02 by lwang
10 Electric field gradient by pathirage	Newbie Corner	2025-04-07 20:12:20 by pathirage
11 The electronic state is deflected when calculating the Caspt2 energy by lwang	Newbie Corner	2025-03-27 04:51:57 by lwang
12 PhD position available by valera	Announcements	2025-03-15 16:20:40 by valera
13 Error with Mckinley for SA-RASSCF excited state by Alessandro	Running Calculations	2025-03-03 12:15:15 by Alessandro
14 Problem in run QM/MM with GROMACS by RE_DRC	Running Calculations	2025-02-20 07:45:53 by RE_DRC
15 QN activation threshold? by andrewshyichuk	Running Calculations	2025-02-13 12:13:10 by andrewshyichuk
16 No pseudospin Hamiltonians will be computed by IbteshamIITH	Running Calculations	2025-02-10 15:21:56 by IbteshamIITH
17 EMPC keyword by andrewshyichuk	Running Calculations	2025-01-24 14:15:35 by andrewshyichuk
18 Workshop "Wavefunction methods for solid state matter (WFS-2025)" by valera	Announcements	2025-01-02 14:23:26 by valera
19 Tiny interatomic distances by andrewshyichuk	Running Calculations	2024-12-12 13:26:58 by andrewshyichuk
20 Molecular isotropic polarizability by es64	Running Calculations	2024-11-22 11:36:52 by es64
21 Error in single_aniso by Suva	Newbie Corner	2024-11-18 05:34:00 by Suva
22 Highly excited states NACs by Alessandro	Running Calculations	2024-11-13 16:20:42 by Alessandro
23 SCF, LOPROP and PRORbitals by andrewshyichuk	Running Calculations	2024-11-06 12:06:01 by andrewshyichuk
24 Dynamical weighting in RASSCF by andrewshyichuk	Running Calculations	2024-10-31 14:10:48 by andrewshyichuk
25 Gradient Convergence Issues in QM/MM Optimizations by GJC	Running Calculations	2024-10-23 14:10:55 by GJC
26 RASSI stops in the Spin-Orbit section by asauza	Running Calculations	2024-10-11 19:26:59 by asauza
27 Extracting full CI wavefunction from RASSCF by Michael	Running Calculations	2024-10-07 12:56:23 by Michael
28 analytical caspt2 gradient with nonzero IPEA shift by rozgonyit	Running Calculations	2024-10-03 11:52:14 by rozgonyit
29 DMRG-NEVPT2 extremely slow by azaichen	Running Calculations	2024-09-30 16:21:37 by azaichen
30 Dipole and Transition Dipole moments is origin independent? by Bhumika	Running Calculations	2024-08-27 21:26:26 by Bhumika

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