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Combined display of all available logs of AutoMeKin. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
(newest | oldest) View (newer 20 | older 20) (20 | 50 | 100 | 250 | 500)- 10:54, 29 June 2019 Wikiadmin (talk | contribs) uploaded File:Tsscds-SOURCE-2018.tar.gz
- 07:42, 29 June 2019 Wikiadmin (talk | contribs) created page File:Tsscds tutorial.pdf
- 07:42, 29 June 2019 Wikiadmin (talk | contribs) uploaded File:Tsscds tutorial.pdf
- 10:16, 24 April 2019 User account Baaden (talk | contribs) was created by Wikiadmin (talk | contribs)
- 14:28, 20 April 2019 Wikiadmin (talk | contribs) moved page Teaching to Thermodynamics
- 14:14, 20 April 2019 Wikiadmin (talk | contribs) created page GAFit (Created page with "GAFit information goes here")
- 08:41, 19 April 2019 Wikiadmin (talk | contribs) created page Teaching (Created page with "==Test==")
- 13:34, 16 April 2019 Wikiadmin (talk | contribs) moved page Main Page to AutoMeKin
- 16:54, 14 April 2019 Wikiadmin (talk | contribs) created page AutoMeKin:About (Created page with "AutoMeKin has been designed to discover reaction mechanisms and solve the kinetics in an automated fashion. AutoMeKin obtains transition state (TS) guess structures from traje...")
- 16:11, 14 April 2019 Wikiadmin (talk | contribs) created page References and citations (Created page with "[http://onlinelibrary.wiley.com/doi/10.1002/jcc.23790/abstract 1. E. Martínez-Núñez J. Comput. Chem. 2015, 36, 222] [http://pubs.rsc.org/en/content/articlelanding/2015/cp/...")
- 16:10, 14 April 2019 Wikiadmin (talk | contribs) created page Reference and citations (Created page with "[http://onlinelibrary.wiley.com/doi/10.1002/jcc.23790/abstract 1. E. Martínez-Núñez J. Comput. Chem. 2015, 36, 222] [http://pubs.rsc.org/en/content/articlelanding/2015/cp/...")
- 16:06, 14 April 2019 Wikiadmin (talk | contribs) created page News (Created page with "Use threads=1 in your input file (see the tutorial) to avoid multhreading in MOPAC calculations for much better performance")
- 15:46, 14 April 2019 Wikiadmin (talk | contribs) created page Changelog (Created page with "{| class="wikitable" |+Food complements |- |Orange |Apple |- |Bread |Pie |- |Butter |Ice cream |}")
- 13:33, 13 April 2019 Wikiadmin (talk | contribs) created page Research (Created page with "[https://pubs.acs.org/doi/10.1021/acs.jpca.9b01779 V. Macaluso et al. J. Phys. Chem. A 2019 (ASAP)] [https://www.mdpi.com/1420-3049/23/12/3156 S. A. Vázquez et al. Molecules...")
- 13:29, 13 April 2019 Wikiadmin (talk | contribs) created page How to cite the program (Created page with "[http://onlinelibrary.wiley.com/doi/10.1002/jcc.23790/abstract E. Martínez-Núñez J. Comput. Chem. 2015, 36, 222] [http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5c...")
- 13:27, 13 April 2019 Wikiadmin (talk | contribs) created page Program execution (Created page with "o start using any of the scripts of the program, you have to load tsscds/2018 module: <code>module load tsscds/2018</code> To run the low-level calculations use: <code>nohu...")
- 13:25, 13 April 2019 Wikiadmin (talk | contribs) created page Running the test (Created page with "To run the formic acid test example (explained in the tutorial) for a few trajectories follow these steps: 1) Load the module: <code>module load tsscds/2018</code> 2) Run t...")
- 13:11, 13 April 2019 Wikiadmin (talk | contribs) created page Installation instructions (Created page with "====================1. OBTAINING THE SOURCE CODE============================== You can get a copy of the source code downloading [tsscds-SOURCE-2018rev1.tar.gz | http://forge...")
- 13:07, 13 April 2019 Wikiadmin (talk | contribs) created page License (Created page with "A computer program for finding reaction mechanisms and solving the kinetics.\\ Copyright (C) 2018 Emilio Martinez-Nunez, Aurelio Rodriguez, Roberto Rodriguez-Fernandez, Saulo...")
- 22:45, 11 April 2019 MediaWiki default (talk) created page Main Page
