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howto [2018/01/20 14:27] oschuetthowto [2018/10/01 14:36] – [Advanced Topics] 141.48.225.222
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   * [[howto:install_with_plumed|How to Compile and Install CP2K with PLUMED]]   * [[howto:install_with_plumed|How to Compile and Install CP2K with PLUMED]]
   * [[howto:compile_on_windows_with_cygwin|How to Compile and Install CP2K on Windows with Cygwin]]   * [[howto:compile_on_windows_with_cygwin|How to Compile and Install CP2K on Windows with Cygwin]]
 +  * [[howto:compile_on_mac|How to Compile and Install CP2K on Mac]]
 ===== Basic Topics ===== ===== Basic Topics =====
   * [[howto:wiki|How to use the Wiki]]   * [[howto:wiki|How to use the Wiki]]
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 ===== Advanced Topics ===== ===== Advanced Topics =====
   * [[http://www.travis-analyzer.de/files/travis_ir_raman.pdf|How to calculate infrared and Raman spectra from MD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]].   * [[http://www.travis-analyzer.de/files/travis_ir_raman.pdf|How to calculate infrared and Raman spectra from MD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]].
 +  * [[https://brehm-research.de/files/bqbtool_manual.pdf|Lossless compression of trajectories and Cube files in bqb format]].
   * [[howto:langevin_regions|How to run Born-Oppenheimer MD with regions connected to thermal baths using Generalised Langevin MD]]   * [[howto:langevin_regions|How to run Born-Oppenheimer MD with regions connected to thermal baths using Generalised Langevin MD]]
   * [[howto:libcusmm | How to use the auto-tuning of Libcusmm]]   * [[howto:libcusmm | How to use the auto-tuning of Libcusmm]]
howto.txt · Last modified: 2024/02/24 10:14 by oschuett