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Topic	Forum	Last post
1 Read Multipole from RASSI.H5 by Sihan Zhang	GUI, Tools and Interfaces	2025-07-30 07:55:30 by Sihan Zhang
2 Error: Did not find: Grad during crossing point search by jh2234	Running Calculations	2025-07-29 11:05:14 by jh2234
3 Question about tracing reaction pathways through MECIs in OpenMolcas by liurui	Running Calculations	2025-07-08 06:28:36 by liurui
4 Use and usefulness of polarizabilities in Xfield by andrewshyichuk	Running Calculations	2025-06-29 10:54:49 by andrewshyichuk
5 RASSCF misbehaves depending on machine by andrewshyichuk	Running Calculations	2025-06-25 13:38:28 by andrewshyichuk
6 ECP basis use for Au atom by PIjush Karak	Running Calculations	2025-06-11 21:17:50 by PIjush Karak
7 Calculating kinetic energies for excited states by jak1234	Running Calculations	2025-06-10 21:08:39 by jak1234
8 problem with WFA program by Ofer	Installation	2025-06-04 14:20:48 by Ofer
9 Difficulty with QM/MM optimization by gruszeck	Newbie Corner	2025-05-30 00:27:15 by gruszeck
10 Spin-Orbital Coupling in RASSI by Sihan Zhang	Running Calculations	2025-05-23 23:38:44 by Sihan Zhang
11 RAES for symmetric molecules by muchovae	Running Calculations	2025-05-14 13:55:42 by muchovae
12 How to compute crystal-field parametes and decompositions of Ln^{2/3+} by liujie2022	Newbie Corner	2025-05-10 01:47:53 by liujie2022
13 SCF does not do zero-iteration calculation - a bug maybe? by andrewshyichuk	Running Calculations	2025-04-29 13:12:15 by andrewshyichuk
14 Odd behaviour of embedding AIMPs by andrewshyichuk	Running Calculations	2025-04-18 19:09:19 by andrewshyichuk
15 The MCLR setting parameter does not work by lwang	Running Calculations	2025-04-17 03:28:51 by lwang
16 CASSCF optimizes track reading issues by lwang	Running Calculations	2025-04-11 13:35:36 by lwang
17 Compile run CASPT2 error in parallel by lwang	Running Calculations	2025-04-08 12:03:02 by lwang
18 Electric field gradient by pathirage	Newbie Corner	2025-04-07 20:12:20 by pathirage
19 The electronic state is deflected when calculating the Caspt2 energy by lwang	Newbie Corner	2025-03-27 04:51:57 by lwang
20 PhD position available by valera	Announcements	2025-03-15 16:20:40 by valera
21 Error with Mckinley for SA-RASSCF excited state by Alessandro	Running Calculations	2025-03-03 12:15:15 by Alessandro
22 Problem in run QM/MM with GROMACS by RE_DRC	Running Calculations	2025-02-20 07:45:53 by RE_DRC
23 QN activation threshold? by andrewshyichuk	Running Calculations	2025-02-13 12:13:10 by andrewshyichuk
24 No pseudospin Hamiltonians will be computed by IbteshamIITH	Running Calculations	2025-02-10 15:21:56 by IbteshamIITH
25 EMPC keyword by andrewshyichuk	Running Calculations	2025-01-24 14:15:35 by andrewshyichuk
26 Workshop "Wavefunction methods for solid state matter (WFS-2025)" by valera	Announcements	2025-01-02 14:23:26 by valera
27 Tiny interatomic distances by andrewshyichuk	Running Calculations	2024-12-12 13:26:58 by andrewshyichuk
28 Molecular isotropic polarizability by es64	Running Calculations	2024-11-22 11:36:52 by es64
29 Error in single_aniso by Suva	Newbie Corner	2024-11-18 05:34:00 by Suva
30 Highly excited states NACs by Alessandro	Running Calculations	2024-11-13 16:20:42 by Alessandro

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