Molcas Forum

Support and discussions for Molcas and OpenMolcas users and developers

You are not logged in.

Topics: Active | Unanswered

Announcement

Welcome to the Molcas forum. You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".

Index
» Search
» Unanswered

Pages: 1 2 3 Next

Search results

Topic	Forum	Last post
1 installation of molcas84 with qcmacquis support by rmarchal	Installation	2019-06-20 13:57:16 by rmarchal
2 "Select" keyword in GRID_IT program by MHHsieh	Running Calculations	2019-05-21 16:28:55 by MHHsieh
3 diffused basis or Rydberg basis by daishudaishu	Running Calculations	2019-05-15 01:08:41 by daishudaishu
4 the problem about putting the orbital of RAS2 into RAS1 by freshman1234	Running Calculations	2019-05-13 02:45:03 by freshman1234
5 QCMaquis standalone keywords in OpenMolcas by LucaBabetto	Running Calculations	2019-05-09 13:33:50 by LucaBabetto
6 Problem in QM/MM optimization by Andrey	Running Calculations	2019-04-29 10:55:00 by Andrey
7 MOLCAS 8.0 getpatch by David	Newbie Corner	2019-04-21 09:43:21 by David
8 SCF functional for CASPT2 calculation by daishudaishu	Newbie Corner	2019-03-27 01:57:46 by daishudaishu
9 transition dipole for spin-orbit eigenfunction using RASSI by tumitumi123	Running Calculations	2019-03-22 04:51:33 by tumitumi123
10 Weird RASSI energy by daishudaishu	Running Calculations	2019-02-24 11:15:53 by daishudaishu
11 Getting <lz> value for the ground-state Kramers doublet of Cobalt(II) by Mukesh	Newbie Corner	2019-02-01 14:55:26 by Mukesh
12 angle of the principal anisotropy axes of excited states by nmkit	Running Calculations	2019-01-16 04:50:04 by nmkit
13 the calculation of spin polarization singlet in SCF module by freshman1234	Running Calculations	2018-12-18 02:30:40 by freshman1234
14 Two-electron integrals by chemUTK1	Newbie Corner	2018-12-14 11:07:24 by chemUTK1
15 Seward related error "function has negative norm". Any solution? by Mukesh	Newbie Corner	2018-10-05 10:21:36 by Mukesh
16 Molcas blog by Ignacio	Announcements	2018-09-18 11:50:54 by Ignacio
17 New orbital viewer: Pegamoid by Ignacio	Announcements	2018-09-12 15:10:18 by Ignacio
18 LUSCUS visualisation molecular orbitals by Mohammed Obies	GUI, Tools and Interfaces	2018-08-24 12:38:02 by Mohammed Obies
19 RASSCF convergence issue by Hanros	Running Calculations	2018-08-22 17:49:00 by Hanros
20 Parallel run Openmolcas by Hanros	Parallelization / Clusters	2018-08-16 18:15:20 by Hanros
21 Cmake Error by hrgrimsl	Installation	2018-07-30 15:32:51 by hrgrimsl
22 CASPT2 calculation error by yasuharushiraishi	Running Calculations	2018-07-27 05:19:34 by yasuharushiraishi
23 Hessian extraction by Sarah	Newbie Corner	2018-06-05 17:10:58 by Sarah
24 State for PCM reaction field by fullmetalchem15t	Running Calculations	2018-05-22 17:33:09 by fullmetalchem15t
25 How to get dyson orbital? by tumitumi123	Running Calculations	2018-05-10 21:34:35 by tumitumi123
26 casscf for CH3I+ Problems in orbital optimization by tumitumi123	Newbie Corner	2018-04-27 03:19:20 by tumitumi123
27 LUSCUS to display the difference between two densities by Sarah	GUI, Tools and Interfaces	2018-04-01 17:03:15 by Sarah
28 Energy components in CASSCF by SebastianS	Newbie Corner	2018-03-15 14:57:51 by SebastianS
29 excited states -HEXS by Hanros	Newbie Corner	2018-02-27 13:17:04 by Hanros
30 Cho_X_Init failed when trying MC-PDFT by shuoshuo	Running Calculations	2018-02-27 07:10:45 by shuoshuo

Pages: 1 2 3 Next

Index
» Search
» Unanswered

Links: OpenMolcas | Molcas | Manual | Facebook

Board footer

Last refresh: Today 19:30:36