Active forum topics

Topic Replies Last postsort ascending Forum
Normal topic DL-FIND error with hdlc
by asoyemi on Tue, 31/05/2022 - 02:32
2 by tomkeal
Wed, 10/08/2022 - 16:13
Py-ChemShell
Normal topic SIGSEGV: Segmentation fault - invalid memory reference.
by khalilian on Tue, 10/05/2022 - 15:09
by khalilian
Tue, 10/05/2022 - 15:09
Py-ChemShell
Normal topic ChemShell cannot find NumPy
by guanw on Tue, 20/04/2021 - 18:11
4 by khalilian
Tue, 10/05/2022 - 13:21
Py-ChemShell
Normal topic install error (no liblapack)
by GFHao on Fri, 29/04/2022 - 02:58
by GFHao
Fri, 29/04/2022 - 02:58
Py-ChemShell
Normal topic Couldn't find gradient in Gaussian output
by pmerino on Wed, 27/04/2022 - 13:07
by pmerino
Wed, 27/04/2022 - 13:07
Tcl-ChemShell
Normal topic unexpected error
by sylar on Thu, 03/02/2022 - 08:51
3 by sylar
Sat, 02/04/2022 - 04:10
Py-ChemShell
Normal topic how can I restart dimer
by sylar on Sat, 12/03/2022 - 02:39
2 by sylar
Sat, 02/04/2022 - 04:08
Py-ChemShell
Normal topic QM/MM calculation with Gaussian16&Amber16
by GFHao on Fri, 01/04/2022 - 02:54
by GFHao
Fri, 01/04/2022 - 02:54
Py-ChemShell
Normal topic Calculating energies with NAMD (MM or QM/MM)
by ran_friedman on Wed, 30/03/2022 - 15:11
by ran_friedman
Wed, 30/03/2022 - 15:11
Py-ChemShell
Normal topic delete atoms with Fragment.delete()
by asoyemi on Tue, 08/03/2022 - 00:19
4 by asoyemi
Tue, 15/03/2022 - 20:00
Py-ChemShell
Normal topic How to use 'masses' when doing numeric frequency
by deng on Mon, 14/03/2022 - 09:07
by deng
Mon, 14/03/2022 - 09:07
Tcl-ChemShell
Normal topic Installation error
by jctc on Fri, 18/02/2022 - 11:03
1 by ylu
Wed, 09/03/2022 - 12:55
Py-ChemShell
Normal topic Running (nprocs>1) QM/MM with ORCA
by asoyemi on Tue, 18/01/2022 - 21:40
2 by asoyemi
Thu, 10/02/2022 - 06:21
Py-ChemShell
Normal topic Microiterative optimizations with ORCA QM/MM
by wasabiko on Wed, 09/02/2022 - 11:44
by wasabiko
Wed, 09/02/2022 - 11:44
Py-ChemShell
Normal topic Adding D3 dispersion correcting with ORCA interface
by asoyemi on Mon, 17/01/2022 - 17:29
4 by tomkeal
Tue, 18/01/2022 - 14:40
Py-ChemShell
Normal topic Run error
by jctc on Fri, 14/01/2022 - 10:23
3 by ylu
Mon, 17/01/2022 - 17:15
Py-ChemShell
Normal topic Creating clusters from cif files
by asoyemi on Fri, 14/01/2022 - 16:41
by asoyemi
Fri, 14/01/2022 - 16:41
Py-ChemShell
Normal topic Visualize optimized geometry from DL_FIND optimization
by asoyemi on Fri, 14/01/2022 - 00:56
1 by tomkeal
Fri, 14/01/2022 - 15:02
Py-ChemShell
Normal topic Scan job error at cartesian coordinates
by xixhaha on Sun, 19/12/2021 - 07:14
1 by tomkeal
Wed, 05/01/2022 - 11:39
ChemShell project
Normal topic HDLCOpt: energy/gradient evaluation failed
by zld on Wed, 01/12/2021 - 14:43
1 by tomkeal
Thu, 02/12/2021 - 16:40
Tcl-ChemShell

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