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Topic	Forum	Last post
1 SINGLE_ANISO - the main magnetic axes and anisotropy axes by chanchenC	Newbie Corner	2022-06-13 13:05:40 by chanchenC
2 Compute the gradient contribution over a specific dihedral by alejandro	Running Calculations	2022-05-25 18:51:31 by alejandro
3 Functional form of ANO-RCC-VTZP & Orbital optimization by stratis	Newbie Corner	2022-05-20 15:17:44 by stratis
4 SINGLE_ANISO for magnetic property by chanchenC	Newbie Corner	2022-05-20 12:35:05 by chanchenC
5 DMRG - MPSSI bug by laumot	Running Calculations	2022-05-13 22:34:06 by laumot
6 Removing large contributions to CASPT2 by bwada	Running Calculations	2022-04-27 20:56:35 by bwada
7 Molden file generation issues and free radical setup by shuyunZhang	Newbie Corner	2022-04-02 10:42:33 by shuyunZhang
8 SINGLE_ANISO by rids	Newbie Corner	2022-03-23 03:31:53 by rids
9 dipole oscillator strength calculation by carra	Running Calculations	2022-03-11 18:21:40 by carra
10 Reading integrals from ONEINT file by chem	Newbie Corner	2022-02-23 12:08:30 by chem
11 MCPDFT floating point exception by chburger	Running Calculations	2022-02-11 10:02:02 by chburger
12 Why do we minimize the average energy of the states in SA-CASSCF? by MaxParadiz	Newbie Corner	2022-02-05 22:09:34 by MaxParadiz
13 CI expansion after a DMRGSCF calculation by davide06	Running Calculations	2022-02-05 11:05:51 by davide06
14 Spin-rotation constants? by chemphys	Newbie Corner	2022-01-10 21:24:22 by chemphys
15 RASSI module with GASSCF by emilioerc	Running Calculations	2022-01-06 15:36:33 by emilioerc
16 Unable to create ANISOINPUT file in SINGLE_ANISO calculation by patrashantigopal@gmail.co	Running Calculations	2022-01-03 13:27:38 by patrashantigopal@gmail.co
17 QM/MM Calculation with Tinker by venchint	Running Calculations	2021-12-27 21:17:33 by venchint
18 The Tinker+Mulliken Option in OpenMolcas seems Problematic by Liuxy1840160	Running Calculations	2021-12-03 04:52:21 by Liuxy1840160
19 "Warning!!!, typden is incompatible with SA" in CCSDT by andrewshyichuk	Running Calculations	2021-11-02 15:00:06 by andrewshyichuk
20 OpenMolcas install and FIPs by deno	Installation	2021-11-02 13:42:37 by deno
21 Configuring GlobalArrays to use with MKL and OpenMPI by roma28	Installation	2021-08-23 13:15:07 by roma28
22 OpenMolcas make failure: undefined reference to `fcntl64@GLIBC_2.28' by martijn	Installation	2021-08-18 00:01:19 by martijn
23 Atomic term symbols from embedded cluster calculations by andrewshyichuk	Newbie Corner	2021-08-06 11:33:14 by andrewshyichuk
24 DMRGSCF and DMRG energies differ / Convergence problems by shosuro	Parallelization / Clusters	2021-06-29 15:34:41 by shosuro
25 DKH contact density calculation with picture change corrections by laumot	Running Calculations	2021-05-31 02:47:10 by laumot
26 Recreate / refresh interface files while keeping integrals by andrewshyichuk	Running Calculations	2021-03-22 11:46:13 by andrewshyichuk
27 CI Vectors with spin-orbit by chemphys	Running Calculations	2021-03-14 20:01:18 by chemphys
28 DIIS Extrapolation and Frozen in CCSDT by andrewshyichuk	Running Calculations	2021-03-11 20:07:25 by andrewshyichuk
29 QMMM CASPT2 in parallel by David	Parallelization / Clusters	2021-03-03 03:19:28 by David
30 DFT-D3 Interface by jmcox2	GUI, Tools and Interfaces	2021-02-24 15:28:10 by jmcox2

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