Topic | Replies | Views | Activity | |
---|---|---|---|---|
Welcome to the ChemShell forum
|
![]() ![]() |
1 | 368 | 13 September 2022 |
Parallel build validation of Tcl-Chemshell |
![]() ![]() |
2 | 47 | 30 May 2023 |
Rate calculations with Py-ChemShell |
![]() ![]() |
1 | 62 | 25 May 2023 |
Frequency calculations |
![]() |
0 | 13 | 25 May 2023 |
Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2 parallel version |
![]() ![]() |
1 | 130 | 27 February 2023 |
Convert cluster object back to cif |
![]() ![]() |
1 | 50 | 13 February 2023 |
Bash: chemsh: command not found |
![]() ![]() |
2 | 67 | 6 January 2023 |
Tool for automatically adding hydrogen atoms to dangling bonds
|
![]() ![]() |
1 | 209 | 8 November 2022 |
Gradient calculation in Tcl-ChemShell |
![]() ![]() |
2 | 126 | 3 November 2022 |
Compiling Py-ChemShell 21.0 without pip |
![]() |
0 | 132 | 20 October 2022 |