| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
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Welcome to the ChemShell forum
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1 | 542 | 13 September 2022 |
| Py-chemshell 21.0.3 test |
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15 | 129 | 19 July 2023 |
| Dealing with dummy atoms from Amber in ChemShell |
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0 | 77 | 14 July 2023 |
| Chemshell 21.0.3 compilation problem |
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2 | 108 | 21 June 2023 |
| Rate calculations with Py-ChemShell |
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2 | 176 | 6 June 2023 |
| Parallel build validation of Tcl-Chemshell |
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3 | 157 | 2 June 2023 |
| Frequency calculations |
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0 | 123 | 25 May 2023 |
| Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2 parallel version |
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1 | 232 | 27 February 2023 |
| Convert cluster object back to cif |
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1 | 120 | 13 February 2023 |
| Bash: chemsh: command not found |
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2 | 145 | 6 January 2023 |
|
Tool for automatically adding hydrogen atoms to dangling bonds
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1 | 613 | 8 November 2022 |
| Gradient calculation in Tcl-ChemShell |
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2 | 203 | 3 November 2022 |
| Compiling Py-ChemShell 21.0 without pip |
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0 | 220 | 20 October 2022 |