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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 1 712 Sep 2022 Problems compiling tcl-chemshell
Tcl-ChemShell
0 8 5d What is the license for the py-chemshell code?
Py-ChemShell
2 30 25d Error in running hybrid qm/mm calculation in tcl-chemshell
Tcl-ChemShell
0 41 22 Mar Unable to install tcl-chemshell(v3.7.1)
Tcl-ChemShell
3 53 28 Feb Py-chemshell 21.0.3 test
Py-ChemShell
15 239 Jul 2023 Dealing with dummy atoms from Amber in ChemShell
Tcl-ChemShell
0 175 Jul 2023 Chemshell 21.0.3 compilation problem
Py-ChemShell
2 214 Jun 2023 Rate calculations with Py-ChemShell
Py-ChemShell
2 284 Jun 2023 Parallel build validation of Tcl-Chemshell
Tcl-ChemShell
3 228 Jun 2023 Frequency calculations
Tcl-ChemShell
0 201 May 2023 Potential issue with chemsh –debug flag in Py-ChemShell 21.0.2
parallel version
Py-ChemShell
1 311 Feb 2023 Convert cluster object back to cif
Py-ChemShell
1 182 Feb 2023 Bash: chemsh: command not found
Tcl-ChemShell
2 220 Jan 2023 Tool for automatically adding hydrogen atoms to dangling bonds

1 801 Nov 2022 Gradient calculation in Tcl-ChemShell
Tcl-ChemShell
2 269 Nov 2022 Compiling Py-ChemShell 21.0 without pip
Py-ChemShell
0 279 Oct 2022


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