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Topic	Forum	Last post
1 Initial Density Matrix file in the module RHODYN by AndreCaro97	Running Calculations	2024-07-12 14:22:15 by AndreCaro97
2 Issue with vibrot Module in OpenMolcas by southgate	Newbie Corner	2024-07-10 05:08:18 by southgate
3 Error in CASSCF calculation is invoked by the RASSCF command by Lukhmanul Hakeem k	Running Calculations	2024-07-09 16:51:53 by Lukhmanul Hakeem k
4 Computing Diabatic Potential energy surfaces by gmahesh	Running Calculations	2024-07-09 12:24:59 by gmahesh
5 Precision of non-adiabatic couplings (NACs) by cuplmu	Running Calculations	2024-06-06 09:54:41 by cuplmu
6 Problem with (QD-)NEVPT2 combined with RICD or Cholesky decomposition by okd3	Running Calculations	2024-05-20 13:00:15 by okd3
7 roaming reaction (T1/S0)roam (S0/S1)roam (T1/S1)roam optimization by liurui	Running Calculations	2024-04-23 03:36:07 by liurui
8 How to use the SHIFT keyword in RASSI by Max.M.K.	Running Calculations	2024-04-10 14:07:30 by Max.M.K.
9 Non-adiabatic couplings -Convergence problem by shuyunZhang	Running Calculations	2024-04-10 05:03:18 by shuyunZhang
10 JOBID for CMS-PDFT by rishu	Newbie Corner	2024-03-22 21:09:43 by rishu
11 How to use mixed basis set in QM/MM calculations? by David	Running Calculations	2024-03-15 03:24:31 by David
12 A possible bug in RASSI resulting in divergent osc. strengths? by turnsek	Running Calculations	2024-02-29 15:02:57 by turnsek
13 RASSI from RASSCF calculations with different active spaces by josejc	Running Calculations	2024-02-19 19:58:58 by josejc
14 Non-zero return code by Kalpa	Running Calculations	2024-01-06 12:10:12 by Kalpa
15 dipole derivatives by marusandoval	Newbie Corner	2023-11-24 15:07:36 by marusandoval
16 Get dipole derivatives from a frequency calculation by federico2099	Newbie Corner	2023-11-21 15:02:12 by federico2099
17 Performance of XMS-CASPT2 MECI optimisation by cuplmu	Running Calculations	2023-11-15 10:50:58 by cuplmu
18 Unphysical CMS-PDFT energies by cool@sm	Running Calculations	2023-11-13 20:37:48 by cool@sm
19 On keyword J-VAlue and OMEGa. by liujie2022	Newbie Corner	2023-11-12 02:38:14 by liujie2022
20 Crash during SEWARD by mtfz	Running Calculations	2023-11-05 17:37:24 by mtfz
21 Get dipole derivatives from a frequency calculation by federico2099	Running Calculations	2023-10-24 02:46:33 by federico2099
22 MCLR and Coupled Perturbed MCHF by lizhuzh	Running Calculations	2023-10-03 21:48:09 by lizhuzh
23 Luscus installation on MacOS Sonoma 14.0 by FedCpp	GUI, Tools and Interfaces	2023-10-02 10:50:42 by FedCpp
24 Geometry optimization for an UMP2 calculation by Okko	Running Calculations	2023-09-23 21:35:49 by Okko
25 Columbus/OpenMolcas distribution by felixp	GUI, Tools and Interfaces	2023-09-19 11:29:08 by felixp
26 Xfield dipoles and Pauli repulsion by andrewshyichuk	Running Calculations	2023-09-12 13:26:00 by andrewshyichuk
27 Surfacehop trajectories crash after N steps by rdjiij	Running Calculations	2023-09-01 11:15:55 by rdjiij
28 Workshop: Wavefunction methods for solid state matter by valera	Announcements	2023-08-15 12:44:25 by valera
29 GUGA limitation? by azaichen	Running Calculations	2023-08-11 21:47:21 by azaichen
30 Requesting to solve poly_aniso error! by Imon jyoti Dutta	Newbie Corner	2023-07-15 14:19:46 by Imon jyoti Dutta

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