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exercises:2015_ethz_mmm:dye_tio

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exercises:2015_ethz_mmm:dye_tio [2015/04/23 14:34] oschuettexercises:2015_ethz_mmm:dye_tio [2015/04/24 09:12] oschuett
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 </note> </note>
  
-To process the cube files we are going to use the cubecruncher tool. It is part of CP2K, but not installed on euler. +To process the cube files we are going to use the [[tools:cubecruncher | cubecruncher]] tool. It is part of CP2K, but not installed on euler. 
-Therefore, a compiled binary of the tool is provided at ''/cluster/home/schuetto/cubecruncher.x''. Before invoking the cubecruncher, you have to load the cp2k module. To simplify the following steps you should create a symbolic link to it in your working directory:+Therefore, you'll have to download and compile it yourself:
 <code> <code>
-you@eulerX ~$ ln -s /cluster/home/schuetto/cubecruncher..+you@eulerX ~$ svn checkout http://svn.code.sf.net/p/cp2k/code/trunk/cp2k/tools/cubecruncher 
 +you@eulerX ~$ cd cubecruncher 
 +you@eulerX ~$ make 
 +you@eulerX ~$ ./cubecruncher.x -help
 </code> </code>
- 
  
 Now subtract the densities of the lone systems from the bonded system: Now subtract the densities of the lone systems from the bonded system:
exercises/2015_ethz_mmm/dye_tio.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1