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Chemshell Discourse

Topic Replies Views Activity Welcome to the ChemShell forum

1 373 13 September 2022 Chemshell 21.0.3 compilation problem
Py-ChemShell

1 8 7 June 2023 Rate calculations with Py-ChemShell
Py-ChemShell

2 74 6 June 2023 Parallel build validation of Tcl-Chemshell
Tcl-ChemShell

3 58 2 June 2023 Frequency calculations
Tcl-ChemShell

0 18 25 May 2023 Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2
parallel version
Py-ChemShell

1 137 27 February 2023 Convert cluster object back to cif
Py-ChemShell

1 54 13 February 2023 Bash: chemsh: command not found
Tcl-ChemShell

2 70 6 January 2023 Tool for automatically adding hydrogen atoms to dangling
bonds

1 220 8 November 2022 Gradient calculation in Tcl-ChemShell
Tcl-ChemShell

2 129 3 November 2022 Compiling Py-ChemShell 21.0 without pip
Py-ChemShell

0 140 20 October 2022


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Topic Replies Views Activity

Welcome to the ChemShell forum

This forum is for discussion of the ChemShell multiscale computational chemistry
environment. For more information on the ChemShell project, please visit
www.chemshell.org 1 373 Sep '22 Chemshell 21.0.3 compilation problem
Py-ChemShell
1 8 1d Rate calculations with Py-ChemShell
Py-ChemShell
2 74 2d Parallel build validation of Tcl-Chemshell
Tcl-ChemShell
3 58 6d Frequency calculations
Tcl-ChemShell
0 18 15d Potential issue with chemsh –debug flag in Py-ChemShell 21.0.2 parallel
version
Py-ChemShell
1 137 27 Feb Convert cluster object back to cif
Py-ChemShell
1 54 13 Feb Bash: chemsh: command not found
Tcl-ChemShell
2 70 6 Jan Tool for automatically adding hydrogen atoms to dangling bonds

1 220 Nov '22 Gradient calculation in Tcl-ChemShell
Tcl-ChemShell
2 129 Nov '22 Compiling Py-ChemShell 21.0 without pip
Py-ChemShell
0 140 Oct '22


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