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News and Announcements
All news and announcements concerning the TURBOMOLE program. |
36 Posts |
Last post by uwe |
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General FAQ
This FAQ may help with some of the more quirky features of the program package. |
16 Posts |
Last post by uwe |
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Installing the Program
All problems, suggestions, and issues with TURBOMOLE installation. |
35 Posts |
Last post by uwe |
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Sequential Runs
All problems, suggestions, and issues with TURBOMOLE running on single processor machines. |
13 Posts |
Last post by uwe |
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Parallel Runs
All problems, suggestions, and issues with TURBOMOLE running on parallel architectures. |
189 Posts |
Last post by uwe |
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TMOLE Script
All problems, suggestions, and issues with running TURBOMOLE using the script TMOLE. |
36 Posts |
Last post by kiranb |
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Define
Questions, problems, suggestions concerning the Define module. |
250 Posts |
Last post by uwe |
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Jobex: Structure Optimization and Molecular Dynamics
Questions, problems, suggestions concerning structure optimizations and ab Initio molecular dynamics using the Jobex script. |
274 Posts |
Last post by uwe |
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Statpt
Questions, problems, suggestions concerning the Statpt module. |
94 Posts |
Last post by uwe |
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Relax
Questions, problems, suggestions concerning the Relax module. |
42 Posts |
Last post by inozerox |
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Ridft, Rdgrad, Dscf, Grad
Questions, problems, suggestions concerning Hartree-Fock and DFT calculations using the Ridft, Rdgrad, Dscf, and Grad modules. |
325 Posts |
Last post by corey.taylor |
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Riper
Questions, problems, suggestions concerning molecular and periodic DFT calculations using the Riper module. |
54 Posts |
Last post by Marek Sierka |
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Escf and Egrad
Questions, problems, suggestions concerning Hartree-Fock and DFT response calculations: stability, dynamic response properties, and excited states |
181 Posts |
Last post by dw1032 |
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Rirpa
Questions, problems, suggestions concerning the Rirpa module. |
1 Posts |
Last post by jeb |
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Ricc2
Questions, problems, suggestions concerning second-order approximate coupled-cluster (CC2) calculations using the Ricc2 module. |
434 Posts |
Last post by evgeniy |
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ccsdf12
Questions, problems and suggestions concerning the CCSD(F12) and CCSD(F12)(T) code |
6 Posts |
Last post by tonyst |
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pnoccsd
Question, problems and suggestions concerning the PNO-MP and PNO-CC code |
0 Posts |
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Mpgrad and Rimp2
Questions, problems, suggestions concerning second-order Møller-Plesset perturbation theory calculations using Mpgrad and Rimp2 modules. |
72 Posts |
Last post by christof.haettig |
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Aoforce and Numforce
Questions, problems, suggestions concerning calculations of vibrational frequencies and infrared spectra using the Aoforce and Numforce modules. |
371 Posts |
Last post by martijn |
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Mpshift
Questions, problems, suggestions concerning calculations of NMR shieldings using the Mpshift module. |
37 Posts |
Last post by uwe |
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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
Questions, problems, suggestions concerning molecular properties, wavefunction analysis, and interfaces to visualization tools. |
221 Posts |
Last post by KrisR |
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MoleControl
Questions, problems, suggestions concerning MoleControl which runs and controls Turbomole jobs using Python scripts. |
0 Posts |
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Treatment of Solvation Effects with COSMO
Questions, problems, suggestions concerning treatment of solvation effects with COSMO. |
124 Posts |
Last post by corey.taylor |
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Installation problems
Board to describe and discuss problems during installation of TmoleX on Linux and Windows systems |
10 Posts |
Last post by uwe |
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TmoleX - general topics
Everything but installation problems with TmoleX |
75 Posts |
Last post by Desang |
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TURBOMOLE Forum General
General remarks and suggestions concerning the TURBOMOLE Forum. |
80 Posts |
Last post by Arnim |
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Miscellaneous
All questions that do not fit into the above categories. |
244 Posts |
Last post by saikat403 |
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Privacy Policy
Privacy Policy of the Turbomole Users Forum |
1 Posts |
Last post by turbomaster |
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Latest Post: "Re: ridft+dsp problem wi..." ( November 26, 2019, 11:21:07 am )
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