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Topic	Forum	Last post
1 RASSI reading the JOBIPH file do not match by hunghv	Running Calculations	2026-03-06 21:34:53 by hunghv
2 RSVSR How to Win the Ubermacht Rhinehart at LS Car Meet in GTA 5 by Andrew736	Running Calculations	2026-02-14 09:35:40 by Andrew736
3 Aborted casscf optimization after frequency calculation by Anugraha	Running Calculations	2026-02-03 19:08:40 by Anugraha
4 Issues with QM/MM dynamics calculation by gnottoli	Running Calculations	2026-02-02 15:33:40 by gnottoli
5 CASPT2 gradient error by saikatmukherjee	Running Calculations	2025-12-24 15:55:55 by saikatmukherjee
6 The reaction field does not converge in the first excited state of pcm by lwang	Running Calculations	2025-11-13 11:56:24 by lwang
7 Using a mixture of quantum packages by jw03	Newbie Corner	2025-11-12 20:43:37 by jw03
8 CASSCF convergence problems with highly charged molecules by matlic	Newbie Corner	2025-09-18 13:32:25 by matlic
9 CHEMPS2 natural orbitals and occupation by chburger	Running Calculations	2025-09-10 08:18:53 by chburger
10 Read Multipole from RASSI.H5 by Sihan Zhang	GUI, Tools and Interfaces	2025-07-30 07:55:30 by Sihan Zhang
11 Error: Did not find: Grad during crossing point search by jh2234	Running Calculations	2025-07-29 11:05:14 by jh2234
12 Question about tracing reaction pathways through MECIs in OpenMolcas by liurui	Running Calculations	2025-07-08 06:28:36 by liurui
13 Use and usefulness of polarizabilities in Xfield by andrewshyichuk	Running Calculations	2025-06-29 10:54:49 by andrewshyichuk
14 RASSCF misbehaves depending on machine by andrewshyichuk	Running Calculations	2025-06-25 13:38:28 by andrewshyichuk
15 ECP basis use for Au atom by PIjush Karak	Running Calculations	2025-06-11 21:17:50 by PIjush Karak
16 Calculating kinetic energies for excited states by jak1234	Running Calculations	2025-06-10 21:08:39 by jak1234
17 problem with WFA program by Ofer	Installation	2025-06-04 14:20:48 by Ofer
18 Spin-Orbital Coupling in RASSI by Sihan Zhang	Running Calculations	2025-05-23 23:38:44 by Sihan Zhang
19 RAES for symmetric molecules by muchovae	Running Calculations	2025-05-14 13:55:42 by muchovae
20 How to compute crystal-field parametes and decompositions of Ln^{2/3+} by liujie2022	Newbie Corner	2025-05-10 01:47:53 by liujie2022
21 SCF does not do zero-iteration calculation - a bug maybe? by andrewshyichuk	Running Calculations	2025-04-29 13:12:15 by andrewshyichuk
22 Odd behaviour of embedding AIMPs by andrewshyichuk	Running Calculations	2025-04-18 19:09:19 by andrewshyichuk
23 The MCLR setting parameter does not work by lwang	Running Calculations	2025-04-17 03:28:51 by lwang
24 CASSCF optimizes track reading issues by lwang	Running Calculations	2025-04-11 13:35:36 by lwang
25 Compile run CASPT2 error in parallel by lwang	Running Calculations	2025-04-08 12:03:02 by lwang
26 Electric field gradient by pathirage	Newbie Corner	2025-04-07 20:12:20 by pathirage
27 The electronic state is deflected when calculating the Caspt2 energy by lwang	Newbie Corner	2025-03-27 04:51:57 by lwang
28 Error with Mckinley for SA-RASSCF excited state by Alessandro	Running Calculations	2025-03-03 12:15:15 by Alessandro
29 Problem in run QM/MM with GROMACS by RE_DRC	Running Calculations	2025-02-20 07:45:53 by RE_DRC
30 QN activation threshold? by andrewshyichuk	Running Calculations	2025-02-13 12:13:10 by andrewshyichuk

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