| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Rate calculations with Py-ChemShell |
|
2 | 714 | 6 June 2023 |
| Parallel build validation of Tcl-Chemshell |
|
3 | 647 | 2 June 2023 |
| Frequency calculations |
|
0 | 597 | 25 May 2023 |
| Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2 parallel version |
|
1 | 635 | 27 February 2023 |
| Convert cluster object back to cif |
|
1 | 427 | 13 February 2023 |
| Bash: chemsh: command not found |
|
2 | 539 | 6 January 2023 |
|
Tool for automatically adding hydrogen atoms to dangling bonds
|
|
1 | 1398 | 8 November 2022 |
| Gradient calculation in Tcl-ChemShell |
|
2 | 559 | 3 November 2022 |
| Compiling Py-ChemShell 21.0 without pip |
|
0 | 625 | 20 October 2022 |