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Topic	Forum	Last post
1 How to include MC-PDFT energies into a RASSI calculation by mcurie747	Running Calculations	Yesterday 06:56:16 by mcurie747
2 Reading Cholesky vectors. Some questions about output files. by asm000	Running Calculations	2019-12-19 14:08:34 by asm000
3 Computing exchange Interaction for Dy-Dy complex using &POLY_ANISO by amanuv	Newbie Corner	2019-11-04 19:38:09 by amanuv
4 OpenMolcas: From Source Code to Insight by Ignacio	Announcements	2019-10-05 14:40:48 by Ignacio
5 McDens file from MC-PDFT by vroomroom23	Running Calculations	2019-09-05 04:25:09 by vroomroom23
6 LprOrb file from scf calculations by rkloditz	Newbie Corner	2019-08-08 10:24:23 by rkloditz
7 the effect of distant group by Fancy	Running Calculations	2019-07-18 10:09:12 by Fancy
8 Molcas 84 (service pack 1) is available by valera	Announcements	2019-07-05 12:58:41 by valera
9 diffused basis or Rydberg basis by daishudaishu	Running Calculations	2019-05-15 01:08:41 by daishudaishu
10 the problem about putting the orbital of RAS2 into RAS1 by freshman1234	Running Calculations	2019-05-13 02:45:03 by freshman1234
11 QCMaquis standalone keywords in OpenMolcas by LucaBabetto	Running Calculations	2019-05-09 13:33:50 by LucaBabetto
12 Problem in QM/MM optimization by Andrey	Running Calculations	2019-04-29 10:55:00 by Andrey
13 MOLCAS 8.0 getpatch by David	Newbie Corner	2019-04-21 09:43:21 by David
14 SCF functional for CASPT2 calculation by daishudaishu	Newbie Corner	2019-03-27 01:57:46 by daishudaishu
15 transition dipole for spin-orbit eigenfunction using RASSI by tumitumi123	Running Calculations	2019-03-22 04:51:33 by tumitumi123
16 Weird RASSI energy by daishudaishu	Running Calculations	2019-02-24 11:15:53 by daishudaishu
17 Getting <lz> value for the ground-state Kramers doublet of Cobalt(II) by Mukesh	Newbie Corner	2019-02-01 14:55:26 by Mukesh
18 angle of the principal anisotropy axes of excited states by nmkit	Running Calculations	2019-01-16 04:50:04 by nmkit
19 the calculation of spin polarization singlet in SCF module by freshman1234	Running Calculations	2018-12-18 02:30:40 by freshman1234
20 Two-electron integrals by chemUTK1	Newbie Corner	2018-12-14 11:07:24 by chemUTK1
21 Seward related error "function has negative norm". Any solution? by Mukesh	Newbie Corner	2018-10-05 10:21:36 by Mukesh
22 Molcas blog by Ignacio	Announcements	2018-09-18 11:50:54 by Ignacio
23 New orbital viewer: Pegamoid by Ignacio	Announcements	2018-09-12 15:10:18 by Ignacio
24 LUSCUS visualisation molecular orbitals by Mohammed Obies	GUI, Tools and Interfaces	2018-08-24 12:38:02 by Mohammed Obies
25 RASSCF convergence issue by Hanros	Running Calculations	2018-08-22 17:49:00 by Hanros
26 Parallel run Openmolcas by Hanros	Parallelization / Clusters	2018-08-16 18:15:20 by Hanros
27 Cmake Error by hrgrimsl	Installation	2018-07-30 15:32:51 by hrgrimsl
28 CASPT2 calculation error by yasuharushiraishi	Running Calculations	2018-07-27 05:19:34 by yasuharushiraishi
29 Hessian extraction by Sarah	Newbie Corner	2018-06-05 17:10:58 by Sarah
30 State for PCM reaction field by fullmetalchem15t	Running Calculations	2018-05-22 17:33:09 by fullmetalchem15t

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