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Topic	Forum	Last post
1 Question and trick about calculating molecular polarizability by jxzou	Running Calculations	2026-06-11 17:32:34 by jxzou
2 Hartree-Fock PCM vibrational analysis issue by azaichen	Running Calculations	2026-06-02 10:46:24 by azaichen
3 OpenMolcas MPI error with parnell_reduce and rc_global,rc_local by zushiwuxian	Installation	2026-05-22 10:03:08 by zushiwuxian
4 14th OpenMolcas Developers' Workshop by Ignacio	Announcements	2026-05-05 14:31:19 by Ignacio
5 Call for contributions to a new OpenMolcas paper by Ignacio	Announcements	2026-04-28 14:36:02 by Ignacio
6 3-days training workshop. Iowa University. by valera	Announcements	2026-04-24 09:06:15 by valera
7 RASSI reading the JOBIPH file do not match by hunghv	Running Calculations	2026-03-06 21:34:53 by hunghv
8 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
9 Aborted casscf optimization after frequency calculation by Anugraha	Running Calculations	2026-02-03 19:08:40 by Anugraha
10 Issues with QM/MM dynamics calculation by gnottoli	Running Calculations	2026-02-02 15:33:40 by gnottoli
11 CASPT2 gradient error by saikatmukherjee	Running Calculations	2025-12-24 15:55:55 by saikatmukherjee
12 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
13 Using a mixture of quantum packages by jw03	Newbie Corner	2025-11-12 20:43:37 by jw03
14 CASSCF convergence problems with highly charged molecules by matlic	Newbie Corner	2025-09-18 13:32:25 by matlic
15 CHEMPS2 natural orbitals and occupation by chburger	Running Calculations	2025-09-10 08:18:53 by chburger
16 Read Multipole from RASSI.H5 by Sihan Zhang	GUI, Tools and Interfaces	2025-07-30 07:55:30 by Sihan Zhang
17 Error: Did not find: Grad during crossing point search by jh2234	Running Calculations	2025-07-29 11:05:14 by jh2234
18 Question about tracing reaction pathways through MECIs in OpenMolcas by liurui	Running Calculations	2025-07-08 06:28:36 by liurui
19 Use and usefulness of polarizabilities in Xfield by andrewshyichuk	Running Calculations	2025-06-29 10:54:49 by andrewshyichuk
20 RASSCF misbehaves depending on machine by andrewshyichuk	Running Calculations	2025-06-25 13:38:28 by andrewshyichuk
21 ECP basis use for Au atom by PIjush Karak	Running Calculations	2025-06-11 21:17:50 by PIjush Karak
22 Calculating kinetic energies for excited states by jak1234	Running Calculations	2025-06-10 21:08:39 by jak1234
23 problem with WFA program by Ofer	Installation	2025-06-04 14:20:48 by Ofer
24 Spin-Orbital Coupling in RASSI by Sihan Zhang	Running Calculations	2025-05-23 23:38:44 by Sihan Zhang
25 RAES for symmetric molecules by muchovae	Running Calculations	2025-05-14 13:55:42 by muchovae
26 How to compute crystal-field parametes and decompositions of Ln^{2/3+} by liujie2022	Newbie Corner	2025-05-10 01:47:53 by liujie2022
27 SCF does not do zero-iteration calculation - a bug maybe? by andrewshyichuk	Running Calculations	2025-04-29 13:12:15 by andrewshyichuk
28 Odd behaviour of embedding AIMPs by andrewshyichuk	Running Calculations	2025-04-18 19:09:19 by andrewshyichuk
29 The MCLR setting parameter does not work by lwang	Running Calculations	2025-04-17 03:28:51 by lwang
30 CASSCF optimizes track reading issues by lwang	Running Calculations	2025-04-11 13:35:36 by lwang

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