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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 1 781 Sep 2022 ¿How can I use psi4 in chemshell?
Py-ChemShell
0 20 6d QM/MM Geometry Optimization Error in ORCA Interface
Tcl-ChemShell
0 21 11d Compiling Py-ChemShell-23.0.1 on RHEL Compatible OS
Py-ChemShell
22 133 24d Running ORCA in parallel with CHEMSHELL mpi version

2 63 28d Unusual point charges in charge shifting method
Tcl-ChemShell
1 64 9 May Problems compiling tcl-chemshell
Tcl-ChemShell
0 141 24 Apr What is the license for the py-chemshell code?
Py-ChemShell
2 72 4 Apr Error in running hybrid qm/mm calculation in tcl-chemshell
Tcl-ChemShell
0 97 22 Mar Unable to install tcl-chemshell(v3.7.1)
Tcl-ChemShell
3 122 28 Feb Py-chemshell 21.0.3 test
Py-ChemShell
15 318 Jul 2023 Dealing with dummy atoms from Amber in ChemShell
Tcl-ChemShell
0 243 Jul 2023 Chemshell 21.0.3 compilation problem
Py-ChemShell
2 298 Jun 2023 Rate calculations with Py-ChemShell
Py-ChemShell
2 381 Jun 2023 Parallel build validation of Tcl-Chemshell
Tcl-ChemShell
3 281 Jun 2023 Frequency calculations
Tcl-ChemShell
0 274 May 2023 Potential issue with chemsh –debug flag in Py-ChemShell 21.0.2
parallel version
Py-ChemShell
1 361 Feb 2023 Convert cluster object back to cif
Py-ChemShell
1 215 Feb 2023 Bash: chemsh: command not found
Tcl-ChemShell
2 270 Jan 2023 Tool for automatically adding hydrogen atoms to dangling bonds

1 874 Nov 2022 Gradient calculation in Tcl-ChemShell
Tcl-ChemShell
2 319 Nov 2022 Compiling Py-ChemShell 21.0 without pip
Py-ChemShell
0 328 Oct 2022


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