Py-ChemShell
Log in to post new content in the forum.
| Topic / Topic starter | Replies |
Last post |
|
|---|---|---|---|
|
Adding D3 dispersion correcting with ORCA interface by asoyemi » Mon, 17/01/2022 - 17:29 |
3 |
by asoyemi Mon, 17/01/2022 - 17:47 |
|
|
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 |
|
|
ChemShell cannot find NumPy by guanw » Tue, 20/04/2021 - 18:11 |
2 |
by guanw Thu, 29/04/2021 - 15:14 |
|
|
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 |
|
|
segmentation fault occurred by wenjian » Mon, 20/07/2020 - 08:26 |
2 |
by wenjian Mon, 31/08/2020 - 11:24 |
|
|
MKL issue with statically linked libraries by Levi Keller » Thu, 02/07/2020 - 10:20 |
1 |
by ylu Mon, 27/07/2020 - 17:07 |
|
|
Py-ChemShell Compile Error with GULP by shaychaudhuri » Tue, 10/12/2019 - 09:37 |
0 |
by shaychaudhuri Tue, 10/12/2019 - 09:37 |
|
|
dl_py2f error by mspichty » Thu, 09/05/2019 - 10:01 |
1 |
by tomkeal Thu, 09/05/2019 - 17:06 |
|
|
Chemshell compile fail with gcc by RagnarB » Tue, 02/04/2019 - 16:25 |
4 |
by ylu Mon, 15/04/2019 - 16:32 |
|
|
Platform related failure? by asmunroh » Wed, 27/03/2019 - 08:20 |
1 |
by ylu Mon, 01/04/2019 - 16:24 |
|
|
DL_FIND Error by saikat403 » Mon, 25/02/2019 - 10:09 |
1 |
by tomkeal Mon, 25/02/2019 - 16:16 |
|
|
Setup fails at 41% by codyaldaz » Mon, 08/10/2018 - 05:30 |
1 |
by tomkeal Mon, 08/10/2018 - 10:41 |
Log in to post new content in the forum.
