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Chemshell Discourse

Topic Replies Views Activity Welcome to the ChemShell forum

1 708 13 September 2022 What is the license for the py-chemshell code?
Py-ChemShell

2 29 4 April 2024 Error in running hybrid qm/mm calculation in tcl-chemshell
Tcl-ChemShell

0 34 22 March 2024 Unable to install tcl-chemshell(v3.7.1)
Tcl-ChemShell

3 50 28 February 2024 Py-chemshell 21.0.3 test
Py-ChemShell

15 232 19 July 2023 Dealing with dummy atoms from Amber in ChemShell
Tcl-ChemShell

0 169 14 July 2023 Chemshell 21.0.3 compilation problem
Py-ChemShell

2 212 21 June 2023 Rate calculations with Py-ChemShell
Py-ChemShell

2 280 6 June 2023 Parallel build validation of Tcl-Chemshell
Tcl-ChemShell

3 223 2 June 2023 Frequency calculations
Tcl-ChemShell

0 198 25 May 2023 Potential issue with chemsh --debug flag in Py-ChemShell
21.0.2 parallel version
Py-ChemShell

1 310 27 February 2023 Convert cluster object back to cif
Py-ChemShell

1 182 13 February 2023 Bash: chemsh: command not found
Tcl-ChemShell

2 220 6 January 2023 Tool for automatically adding hydrogen atoms to dangling
bonds

1 794 8 November 2022 Gradient calculation in Tcl-ChemShell
Tcl-ChemShell

2 267 3 November 2022 Compiling Py-ChemShell 21.0 without pip
Py-ChemShell

0 276 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 1 708 Sep '22 What is the license for the py-chemshell code?
Py-ChemShell
2 29 19d Error in running hybrid qm/mm calculation in tcl-chemshell
Tcl-ChemShell
0 34 22 Mar Unable to install tcl-chemshell(v3.7.1)
Tcl-ChemShell
3 50 28 Feb Py-chemshell 21.0.3 test
Py-ChemShell
15 232 Jul '23 Dealing with dummy atoms from Amber in ChemShell
Tcl-ChemShell
0 169 Jul '23 Chemshell 21.0.3 compilation problem
Py-ChemShell
2 212 Jun '23 Rate calculations with Py-ChemShell
Py-ChemShell
2 280 Jun '23 Parallel build validation of Tcl-Chemshell
Tcl-ChemShell
3 223 Jun '23 Frequency calculations
Tcl-ChemShell
0 198 May '23 Potential issue with chemsh –debug flag in Py-ChemShell 21.0.2
parallel version
Py-ChemShell
1 310 Feb '23 Convert cluster object back to cif
Py-ChemShell
1 182 Feb '23 Bash: chemsh: command not found
Tcl-ChemShell
2 220 Jan '23 Tool for automatically adding hydrogen atoms to dangling bonds

1 794 Nov '22 Gradient calculation in Tcl-ChemShell
Tcl-ChemShell
2 267 Nov '22 Compiling Py-ChemShell 21.0 without pip
Py-ChemShell
0 276 Oct '22


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