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Submission Tags: phishingrod
Submission: On August 27 via api from DE — Scanned from GB
Submission Tags: phishingrod
Submission: On August 27 via api from DE — Scanned from GB
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Skip to main content Sign Up Log In * * 1. categories 2. tags * Latest * Top * Categories 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 1 846 Sep 2022 Umbrella sampling using Tcl-ChemShell Tcl-ChemShell 0 26 19d Issue with Convergence Criteria upon Job Restart in DL-FIND/ORCA 0 39 26d Error when reading .c file Tcl-ChemShell 0 74 12 Jul Py-ChemShell ./test FAILED Py-ChemShell 5 97 11 Jul ¿How can I use psi4 in chemshell? Py-ChemShell 1 93 5 Jul QM/MM Geometry Optimization Error in ORCA Interface Tcl-ChemShell 0 89 17 Jun Compiling Py-ChemShell-23.0.1 on RHEL Compatible OS Py-ChemShell 22 222 4 Jun Running ORCA in parallel with CHEMSHELL mpi version 2 114 30 May Unusual point charges in charge shifting method Tcl-ChemShell 1 105 9 May Problems compiling tcl-chemshell Tcl-ChemShell 0 207 24 Apr What is the license for the py-chemshell code? Py-ChemShell 2 120 4 Apr Error in running hybrid qm/mm calculation in tcl-chemshell Tcl-ChemShell 0 131 22 Mar Unable to install tcl-chemshell(v3.7.1) Tcl-ChemShell 3 203 28 Feb Py-chemshell 21.0.3 test Py-ChemShell 15 387 Jul 2023 Dealing with dummy atoms from Amber in ChemShell Tcl-ChemShell 0 308 Jul 2023 Chemshell 21.0.3 compilation problem Py-ChemShell 2 360 Jun 2023 Rate calculations with Py-ChemShell Py-ChemShell 2 440 Jun 2023 Parallel build validation of Tcl-Chemshell Tcl-ChemShell 3 328 Jun 2023 Frequency calculations Tcl-ChemShell 0 336 May 2023 Potential issue with chemsh –debug flag in Py-ChemShell 21.0.2 parallel version Py-ChemShell 1 402 Feb 2023 Convert cluster object back to cif Py-ChemShell 1 250 Feb 2023 Bash: chemsh: command not found Tcl-ChemShell 2 306 Jan 2023 Tool for automatically adding hydrogen atoms to dangling bonds 1 1.0k Nov 2022 Gradient calculation in Tcl-ChemShell Tcl-ChemShell 2 357 Nov 2022 Compiling Py-ChemShell 21.0 without pip Py-ChemShell 0 379 Oct 2022 THERE ARE NO MORE LATEST TOPICS. Powered by Discourse Invalid date Invalid date