Py-ChemShell
Log in to post new content in the forum.
| Topic / Topic starter | Replies |
Last post |
|
|---|---|---|---|
|
DL-FIND error with hdlc by asoyemi » Tue, 31/05/2022 - 02:32 |
2 |
by tomkeal Wed, 10/08/2022 - 16:13 |
|
|
SIGSEGV: Segmentation fault - invalid memory reference. by khalilian » Tue, 10/05/2022 - 15:09 |
0 |
by khalilian Tue, 10/05/2022 - 15:09 |
|
|
ChemShell cannot find NumPy by guanw » Tue, 20/04/2021 - 18:11 |
4 |
by khalilian Tue, 10/05/2022 - 13:21 |
|
|
install error (no liblapack) by GFHao » Fri, 29/04/2022 - 02:58 |
0 |
by GFHao Fri, 29/04/2022 - 02:58 |
|
|
unexpected error by sylar » Thu, 03/02/2022 - 08:51 |
3 |
by sylar Sat, 02/04/2022 - 04:10 |
|
|
how can I restart dimer by sylar » Sat, 12/03/2022 - 02:39 |
2 |
by sylar Sat, 02/04/2022 - 04:08 |
|
|
QM/MM calculation with Gaussian16&Amber16 by GFHao » Fri, 01/04/2022 - 02:54 |
0 |
by GFHao Fri, 01/04/2022 - 02:54 |
|
|
Calculating energies with NAMD (MM or QM/MM) by ran_friedman » Wed, 30/03/2022 - 15:11 |
0 |
by ran_friedman Wed, 30/03/2022 - 15:11 |
|
|
delete atoms with Fragment.delete() by asoyemi » Tue, 08/03/2022 - 00:19 |
4 |
by asoyemi Tue, 15/03/2022 - 20:00 |
|
|
Installation error by jctc » Fri, 18/02/2022 - 11:03 |
1 |
by ylu Wed, 09/03/2022 - 12:55 |
|
|
Running (nprocs>1) QM/MM with ORCA by asoyemi » Tue, 18/01/2022 - 21:40 |
2 |
by asoyemi Thu, 10/02/2022 - 06:21 |
|
|
Microiterative optimizations with ORCA QM/MM by wasabiko » Wed, 09/02/2022 - 11:44 |
0 |
by wasabiko Wed, 09/02/2022 - 11:44 |
|
|
Adding D3 dispersion correcting with ORCA interface by asoyemi » Mon, 17/01/2022 - 17:29 |
4 |
by tomkeal Tue, 18/01/2022 - 14:40 |
|
|
Run error by jctc » Fri, 14/01/2022 - 10:23 |
3 |
by ylu Mon, 17/01/2022 - 17:15 |
|
|
Creating clusters from cif files by asoyemi » Fri, 14/01/2022 - 16:41 |
0 |
by asoyemi Fri, 14/01/2022 - 16:41 |
|
|
Visualize optimized geometry from DL_FIND optimization by asoyemi » Fri, 14/01/2022 - 00:56 |
1 |
by tomkeal Fri, 14/01/2022 - 15:02 |
|
|
Segmentation Error by sairamadugu » Mon, 30/08/2021 - 18:19 |
1 |
by sairamadugu Mon, 30/08/2021 - 20:39 |
|
|
ChemShell-NWchem multiprocessors error. by chenxin » Sat, 07/08/2021 - 03:03 |
2 |
by ylu Tue, 17/08/2021 - 06:33 |
|
|
py-ChemShell gulp questionnaire by Sang Il Han » Tue, 01/06/2021 - 12:15 |
1 |
by tomkeal Mon, 07/06/2021 - 13:14 |
|
|
py-ChemShell GULP Error by vrahul » Wed, 17/02/2021 - 03:45 |
2 |
by vrahul Thu, 18/02/2021 - 11:31 |
|
|
Overall charge is different for ORCA and NWChem QM interfaces in MgO surface by Benjamin Shi » Thu, 04/02/2021 - 16:24 |
3 |
by Benjamin Shi Mon, 15/02/2021 - 21:55 |
|
|
Incorrect Fragment loaded from large CJSON by max » Thu, 27/08/2020 - 09:56 |
1 |
by ylu Tue, 12/01/2021 - 22:37 |
|
|
segfault due to memory mismatch. by Levi Keller » Sat, 03/10/2020 - 16:19 |
1 |
by ylu Tue, 12/01/2021 - 22:16 |
|
|
Support for DFTB+ by chae0603 » Thu, 05/11/2020 - 06:35 |
1 |
by tomkeal Tue, 10/11/2020 - 12:13 |
|
|
Error is setup script by Levi Keller » Sat, 03/10/2020 - 15:46 |
0 |
by Levi Keller Sat, 03/10/2020 - 15:46 |
Log in to post new content in the forum.
