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exercises:2015_cecam_tutorial:index [2015/08/31 20:53] – [Complete list of exercises] mwatkinsexercises:2015_cecam_tutorial:index [2015/09/03 12:45] – [Complete list of exercises] sling
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   * [[urea|QM/MM study of UREA Zwitterion in water]]   * [[urea|QM/MM study of UREA Zwitterion in water]]
   * [[neb|Nanostructures and adsorption on metallic surfaces]]   * [[neb|Nanostructures and adsorption on metallic surfaces]]
 +  * [[forcefields|Setting up a FIST calculation of a protein using VMD]]
  
 Input files for all of the above can be downloaded from [[http://www.epcc.ed.ac.uk/~ibethune/files/CP2K_CECAM.tar.gz]] (1.8 GB!) Input files for all of the above can be downloaded from [[http://www.epcc.ed.ac.uk/~ibethune/files/CP2K_CECAM.tar.gz]] (1.8 GB!)
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   * [[exercises:2015_pitt:mp2|MP2 and RPA]]   * [[exercises:2015_pitt:mp2|MP2 and RPA]]
   * [[exercises:2015_pitt:ls|Linear Scaling Simulations]]   * [[exercises:2015_pitt:ls|Linear Scaling Simulations]]
 +  * [[Basis set optimisation using OPTIMIZE_BASIS]]
exercises/2015_cecam_tutorial/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1