CP2K Open Source Molecular Dynamics

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howto [2017/09/29 10:11] – [Advanced Topics] dgolzehowto [2018/04/10 10:48] – [Installation] jglan
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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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   * [[howto:ic-qmmm| How to run IC-QM/MM simulations for interface systems]]   * [[howto:ic-qmmm| How to run IC-QM/MM simulations for interface systems]]
   * [[howto:shifter|How run with Shifter / Docker]]   * [[howto:shifter|How run with Shifter / Docker]]
 +  * [[howto:cdft|How to perform constrained DFT simulations]]
 +  * [[howto:pao-ml|How to run simulations with PAO-ML]]
 ===== Applications / Case Studies ===== ===== Applications / Case Studies =====
   * [[ science | Example published work using CP2K ]]   * [[ science | Example published work using CP2K ]]
      
howto.txt · Last modified: 2024/02/24 10:14 by oschuett