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Topic	Forum	Last post
1 CI derivatives after ESPF in QMMM calculation by lijingbai2009	Running Calculations	2021-10-07 00:25:08 by lijingbai2009
2 MC-PDFT Geometry optimization crashes by Athaelyn	Newbie Corner	2021-08-27 10:15:36 by Athaelyn
3 Configuring GlobalArrays to use with MKL and OpenMPI by roma28	Installation	2021-08-23 13:15:07 by roma28
4 OpenMolcas make failure: undefined reference to `fcntl64@GLIBC_2.28' by martijn	Installation	2021-08-18 00:01:19 by martijn
5 Atomic term symbols from embedded cluster calculations by andrewshyichuk	Newbie Corner	2021-08-06 11:33:14 by andrewshyichuk
6 DMRGSCF and DMRG energies differ / Convergence problems by shosuro	Parallelization / Clusters	2021-06-29 15:34:41 by shosuro
7 DKH contact density calculation with picture change corrections by laumot	Running Calculations	2021-05-31 02:47:10 by laumot
8 Recreate / refresh interface files while keeping integrals by andrewshyichuk	Running Calculations	2021-03-22 11:46:13 by andrewshyichuk
9 CI Vectors with spin-orbit by chemphys	Running Calculations	2021-03-14 20:01:18 by chemphys
10 DIIS Extrapolation and Frozen in CCSDT by andrewshyichuk	Running Calculations	2021-03-11 20:07:25 by andrewshyichuk
11 QMMM CASPT2 in parallel by David	Parallelization / Clusters	2021-03-03 03:19:28 by David
12 DFT-D3 Interface by jmcox2	GUI, Tools and Interfaces	2021-02-24 15:28:10 by jmcox2
13 PhD position available by valera	Announcements	2021-01-22 14:22:04 by valera
14 Calculating vibrations with CCSDT by andrewshyichuk	Running Calculations	2021-01-14 13:31:12 by andrewshyichuk
15 CASSCF Polarizable embedding by vkj	Running Calculations	2020-11-30 15:18:12 by vkj
16 Computing surface hopping probability by lijingbai2009	Running Calculations	2020-11-19 06:25:30 by lijingbai2009
17 Error in RASSI by SABYASACHI	Running Calculations	2020-11-18 05:33:47 by SABYASACHI
18 Calculation: Molecule on a substrate by moev96	Running Calculations	2020-11-15 21:52:14 by moev96
19 MC-PDFT Hessian by papai	Running Calculations	2020-11-11 11:29:09 by papai
20 Is the MRCI method in OpenMolcas uncontracted or internally contracted by jxzou	Running Calculations	2020-09-12 04:19:31 by jxzou
21 Zulip real-time chat available for OpenMolcas by Ignacio	Announcements	2020-08-10 11:52:59 by Ignacio
22 parnell failing when run using > 1 processor by srk	Parallelization / Clusters	2020-07-30 07:43:55 by srk
23 The flowchart of Single_aniso job by chucksty	Running Calculations	2020-07-16 11:27:33 by chucksty
24 Activating UBAR and PLOT under poly_aniso job by chucksty	Running Calculations	2020-06-26 12:19:52 by chucksty
25 Error while doing calculation by Mukesh	Running Calculations	2020-05-22 12:05:27 by Mukesh
26 Reading Cholesky vectors. Some questions about output files. by asm000	Running Calculations	2019-12-19 14:08:34 by asm000
27 OpenMolcas: From Source Code to Insight by Ignacio	Announcements	2019-10-05 14:40:48 by Ignacio
28 McDens file from MC-PDFT by vroomroom23	Running Calculations	2019-09-05 04:25:09 by vroomroom23
29 LprOrb file from scf calculations by rkloditz	Newbie Corner	2019-08-08 10:24:23 by rkloditz
30 the effect of distant group by Fancy	Running Calculations	2019-07-18 10:09:12 by Fancy

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